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                     The Cambridge Quantum Monte Carlo Code
                 CASINO v2.13.584 [Mike Towler] (6 luglio 2016)

      Main Authors : R.J.Needs, M.D.Towler, N.D.Drummond and P.Lopez Rios

            Theory of Condensed Matter Group, Cavendish Laboratory,
                University of Cambridge, Cambridge, CB3 OHE, UK.

                     CASINO web page: vallico.net/casinoqmc

                      Current contact: mdt26 at cam.ac.uk

 ------------------------------------------------------------------------------
 Started 2017/06/01 14:31:40.335

 Running in parallel using 16 MPI processes.

 General input parameters
 ========================
 NEU (num up spin electrons)              :  10
 NED (num down spin electrons)            :  8
 RUNTYPE (type of run)                    :  vmc_opt
 PSI_S  (form for [anti]symmetrizing wfn) :  slater
 ATOM_BASIS_TYPE (atom-centred orb basis) :  gaussian
 INTERACTION (interaction type)           :  coulomb
 TESTRUN (read input data,print and stop) :  F
 PERIODIC                                 :  F
 COMPLEX_WF (complex Slater wave fn.)     :  F
 NEIGHPRINT (neighbour analysis)          :  0
 USE_JASTROW (use Jastrow factor)         :  T
 BACKFLOW (use backflow corrections)      :  T
 DBARRC (DBAR recalculation period)       :  100000
 USE_ORBMODS (use orbitals modifications) :  F
 CUSP_CORRECTION                          :  T
 MOLGSCREENING                            :  F
 NON_LOCAL_GRID (NL integration grid)     :  4
 E_OFFSET (energy offset)                 :  0.0000
 ESUPERCELL                               :  F
 GAUTOL  (Gaussian evaluation tolerance)  :  7.0
 SPARSE                                   :  F
 DIPOLE_MOMENT                            :  F
 CHECKPOINT (checkpointing level)         :  1
 CHECKPOINT_NCPU (chkpnt group size)      :  16
 CON_LOC (Dir to read/write config.*)     :  ./
 RELATIVISTIC                             :  F

 VMC/Variance minimization input parameters
 ==========================================
 NEWRUN (start new run)                   :  T
 VMC_METHOD (choice of VMC algorithm)     :  1
 DTVMC (VMC time step)                    :  1.0000E-01
 OPT_DTVMC (VMC time-step optimization)   :  1
 VMC_NSTEP (num VMC steps)                :  50000
 VMC_NCONFIG_WRITE (num configs to write) :  10000
 VMC_NBLOCK (num VMC blocks)              :  10
 VMC_EQUIL_NSTEP (num equil steps)        :  50000
 VMC_DECORR_PERIOD (length of inner loop) :  10
 VMC_AVE_PERIOD (hist reduction factor)   :  1
 VMC_SAMPLING                             :  standard
 MAKEMOVIE                                :  F
 FORCES                                   :  F
 OPT_CYCLES (num optimization cycles)     :  20
 POSTFIT_VMC (perform post-fit VMC calc)  :  T
 POSTFIT_KEEP_CFG (keep post-fit VMC cfgs):  F
 OPT_NOCTF_CYCLES (fixed cutoff cycles)   :  0
 OPT_INFO (information level)             :  2
 OPT_JASTROW (opt Jastrow factor)         :  T
 OPT_DET_COEFF (opt det coeffs)           :  F
 OPT_ORBITALS (opt orbitals)              :  F
 OPT_BACKFLOW (opt backflow params)       :  T
 OPT_FIXNL (fix nonlocal energy)          :  T
 OPT_MAXITER (max num iterations)         :  10
 OPT_MAXEVAL (max num evaluations)        :  200
 VM_SMOOTH_LIMITS (smooth limiting)       :  T
 VM_REWEIGHT (reweighting)                :  F
 VM_FILTER (filter outlying configs)      :  F
 VM_USE_E_GUESS (use guess energy)        :  F

 Particles
 =========
 Particle name                 Charge        Mass         Spin   Type
 -------------------------------------------------------------------------
 1: Spin-up electron          -1.00000       1.0000000     0.5   Fermion
 2: Spin-down electron        -1.00000       1.0000000    -0.5   Fermion
 -------------------------------------------------------------------------

 Number of diffusion types : 2

 Single-particle groupings
 -------------------------
 Spin dep. 0 : (1,2) [F] [E]
 Spin dep. 1 : (1) (2)

 NB, partitions defining spin-[F]amilies and [E]quivalent particles flagged.

 Particle-pair groupings
 -----------------------
 Spin-pair dep. 0 : (1-1,1-2,2-2)
 Spin-pair dep. 1 : (1-1,2-2) (1-2)
 Spin-pair dep. 2 : (1-1) (1-2) (2-2)

 Initialize random number generator
 ==================================
 Generator                                 :  RANLUX
 RANLUX luxury level                       :  3
 p value                                   :  223
 Value of random seed on node 0            :  1889845603

 Initialized with seed derived from timer.

 Reading correlation.data
 ========================
 Header:
   Berilio
 Version of correlation.data : 1
 A Jastrow factor is present in correlation.data.
 A backflow function is present in correlation.data.

 No multideterminant/excitation data supplied.
 Using ground state defined in xwfn.data file.

 Reading Gaussian wave function and associated data
 ==================================================

 Title :  Litio C (spin total=0.)

 Generating code                           :  Gaussian 09
 Method                                    :  UB3LYP
 DFT functional                            :  LYP
 Periodicity                               :  0 (molecule)
 Spin restricted?                          :  No

 Total number of electrons                 :  18

 Basis set information

 Number of atoms                           :  3
 Number of shells                          :  30
 Number of basis fns                       :  90
 Number of primitives                      :  69
 Highest ang momentum                      :  4

 Gaussian basis sets:
 ------------------------------------------------------------------
   Atom  x(au)  y(au)  z(au)    No. Type  Exponent    Coefficients
 ------------------------------------------------------------------
   1 C    -1.289    0.098    0.000
                             1-   1  s
                                         8.236E+03     3.339E-01
                                         1.235E+03     6.225E-01
                                         2.808E+02     1.052E+00
                                         7.927E+01     1.582E+00
                                         2.559E+01     1.943E+00
                                         8.997E+00     1.640E+00
                                         3.319E+00     6.165E-01
                             2-   2  s
                                         2.808E+02    -2.908E-03
                                         7.927E+01    -2.174E-02
                                         2.559E+01    -8.124E-02
                                         8.997E+00    -2.267E-01
                                         3.319E+00    -3.037E-01
                                         3.643E-01     3.586E-01
                             3-   3  s
                                         9.059E-01     6.618E-01
                             4-   4  s
                                         1.285E-01     1.530E-01
                             5-   7  p
                                         1.871E+01     2.187E+00
                                         4.133E+00     2.050E+00
                                         1.200E+00     1.460E+00
                             8-  10  p
                                         3.827E-01     4.291E-01
                            11-  13  p
                                         1.209E-01     1.016E-01
                            14-  18  d
                                         1.097E+00     1.676E+00
                            19-  23  d
                                         3.180E-01     1.919E-01
                            24-  30  f
                                         7.610E-01     1.090E+00
   2 C     1.289    0.098    0.000
   3 C     0.000    2.331    0.000
 ------------------------------------------------------------------
 Single determinant :

 Det 1 spin 1           : ground state
 Det 1 spin 2           : ground state
 Det 1 coefficient      : 1.00000000

 Pseudopotentials
 ================
 No pseudopotential for C - treating as all-electron.

 Geometry derived from information in gwfn.data
 ==============================================

 Simulation cell : Finite (atomic/molecular geometry)

 Atom Atno  Type              Position (Cartesian au)
 -------------------------------------------------------------
    1   6   1        -1.28899731     0.09805978     0.00000000
    2   6   1         1.28899731     0.09805978     0.00000000
    3   6   1         0.00000000     2.33082223     0.00000000

 Molecule does not appear to have inversion symmetry.

 Neighbour analysis of the atoms in the molecule
 -----------------------------------------------
   Atom   N     R(Ang)     R(au)    Neighbours
   1 C    1     1.3642     2.5780   2 C    0 0 0

   2 C    1     1.3642     2.5780   1 C    0 0 0

   3 C    2     1.3643     2.5781   2 C    0 0 0   1 C    0 0 0

 Gaussian cusp correction
 ========================
 Activated.

 Expectation values
 ==================
 None requested.

 Interactions
 ============
 Interaction type: Coulomb
 System is aperiodic. Using 1/r only.

 Nuclear repulsion energy (au)
 =============================
 EIONION from file  : 41.891586456600
 Calculated EIONION : 41.891586481840

 Calculated and input nuclear repulsion energies agree.

 Jastrow factor
 ==============
 Reading Jastrow factor from correlation.data file.

 Title: Be3 cluster

 Truncation order                   :  3

 U term:
  SET 1
   Spherical harmonic l             :  0
   Spherical harmonic m             :  0
   Expansion order (N_u)            :  8
   Spin dependence                  :  1
   Using default cutoff length L_u.
   Cutoff             (optimizable) :  5.000000000000000E+00
   Not all coefficients supplied: rest assumed to be zero.
   No. of parameters in set         :  16
   (In addition to the cutoff length.)

 Chi term:
  Number of sets                    :  1
  SET 1:
   Spherical harmonic l             :  0
   Spherical harmonic m             :  0
   Number of atoms in set           :  3
   The atoms are:
    1    2    3
   Electron-nucleus cusp not imposed in Jastrow
   Expansion order (N_chi)          :  6
   Spin dependence                  :  0
   Using default cutoff length L_chi.
   Cutoff             (optimizable) :  4.000000000000000E+00
   Not all coefficients supplied: rest assumed to be zero.
   No. of parameters in set         :  6
   (In addition to the cutoff length.)

 F term:
  Number of sets                    :  1
  SET 1:
   Number of atoms in set           :  3
   The atoms are:
    1    2    3
   No constraints applied to avoid duplicating u.
   No constraints applied to avoid duplicating chi.
   Expansion order (N_f_eN)         :  3
   Expansion order (N_f_ee)         :  3
   Spin dependence                       :  1
   Using default cutoff length L_f.
   Cutoff             (optimizable) :  3.000000000000000E+00
   Not all coefficients supplied: rest assumed to be zero.
   No. of parameters in set         :  52
   (In addition to the cutoff length.)

 Finished reading Jastrow factor from correlation.data.

 Imposed symmetry and no-cusp constraints on gamma array.
 Checked that gamma array satisfies its constraints.
 Polynomials constructed.
 Checked that cusp and cutoff conditions are satisfied.

 Finished Jastrow setup.

 Initial Jastrow set is empty.
 Will not use a Jastrow factor in first VMC run.

 Backflow setup
 ==============
 Reading correlation.data file.

 Backflow function:
  Title                  :  AE Carbon atom - empty parameter set
  Truncation order       :  2
  Discontinuities        :  Local energy

  Eta term:
   Expansion order       :  8
   Spin dependence       :  1
   Cutoff for s=1  (opt) :  1.000000000000 (default)
   Cutoff for s=2  (opt) :  4.000000000000 (default)
   No. of free params    :  17 + 2 cut-off lengths
   Unspecified params    :  Zeroed

  Mu term:
   Number of sets        :  1
   Set 1
    Atoms in set         :  3
    The atoms are        :  1 2 3
    Type of cusp conds.  :  AE with cusp
    Expansion order      :  6
    Spin dependence      :  1
    Cutoff (optimizable) :  4.500000000000 (default)
    No. of free params   :  10 + cut-off length
    Unspecified params   :  Zeroed
   Completeness of mu    :  All atoms included

  Phi term:
   Number of sets        :  1
   Set 1
    Atoms in set         :  3
    The atoms are        :  1 2 3
    Type of cusp conds.  :  AE with cusp
    Irrotational constr. :  Applied
    Expansion order e-N  :  3
    Expansion order e-e  :  3
    Spin dependence      :  0
    Cutoff (optimizable) :  4.500000000000 (default)
    No. of free params   :  6 + cut-off length
    Unspecified params   :  Zeroed
   Completeness of Phi   :  All atoms included

 Finished reading backflow functions from correlation.data.

 Allocated work arrays, using 46.3 KiB.
 Imposed e-e cusps, e-N cusps and irrotational-backflow constraints
 and checked them.
 Will apply cut-offs around AE atoms.

 Finished backflow setup.

 Initial backflow set is empty.
 Will not use backflow in first VMC run.


 Setup complete.

 Time taken in setup    : : :        0.0000

 Writing parameters to correlation.out.0.

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 1
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  DTVMC #1:   1.6287E-01 (optimized)
  DTVMC #2:   1.3384E-01 (optimized)
 Done. [total CPU time: 15s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: good.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1         (%)  =  50.4692
 Acceptance ratio #2         (%)  =  50.0025
 Diffusion constant #1  (Bohr^2)  = 1.2876E-02
 Diffusion constant #2  (Bohr^2)  = 1.0564E-02
 Correlation time        (steps)  = 5.2870E+00 +- 8.7955E-01
 Efficiency         (au^-2 s^-1)  = Infinity
 No. of VMC steps per process     = 313

  Block average energies (au)

  Total energy                       (au) =        -113.333929411788
  Standard error                        +/-           0.072345196834

  Kinetic energy KEI (used in Total) (au) =         110.592902473662
  Standard error                        +/-           0.960200040457

  Kinetic energy TI                  (au) =         111.454775725321
  Standard error                        +/-           0.550972331408

  Kinetic energy FISQ                (au) =         112.316648976979
  Standard error                        +/-           0.479507403398

  Potential energy                   (au) =        -265.818418367290
  Standard error                        +/-           0.954315495906

  e-e interaction                    (au) =          79.183198985849
  Standard error                        +/-           0.119271179874

  e-n interaction                    (au) =        -345.001617353139
  Standard error                        +/-           0.989280764550

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =          30.217756528395
  Standard error                        +/-           6.071213021890

  Maximum distance from origin       (au) =           7.393697254858


 Time taken in block    : : :        0.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1         (%)  =  49.9671
 Acceptance ratio #2         (%)  =  50.0100
 Diffusion constant #1  (Bohr^2)  = 1.1833E-02
 Diffusion constant #2  (Bohr^2)  = 1.0550E-02
 Correlation time        (steps)  = 5.6515E+00 +- 1.7367E+00
 Efficiency         (au^-2 s^-1)  = 5.2351E+01
 No. of VMC steps per process     = 313

  Block average energies (au)

  Total energy                       (au) =        -113.498010516861
  Standard error                        +/-           0.059919137271

  Kinetic energy KEI (used in Total) (au) =         106.966791806541
  Standard error                        +/-           1.138257958036

  Kinetic energy TI                  (au) =         109.770882335831
  Standard error                        +/-           0.641707056558

  Kinetic energy FISQ                (au) =         112.574972865120
  Standard error                        +/-           0.521673049320

  Potential energy                   (au) =        -262.356388805242
  Standard error                        +/-           1.133315007438

  e-e interaction                    (au) =          79.166460383434
  Standard error                        +/-           0.104098713050

  e-n interaction                    (au) =        -341.522849188676
  Standard error                        +/-           1.170788508659

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =          16.926861492115
  Standard error                        +/-           0.711726385846

  Maximum distance from origin       (au) =           8.292290477898


 Time taken in block    : : :        1.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1         (%)  =  49.9431
 Acceptance ratio #2         (%)  =  49.8415
 Diffusion constant #1  (Bohr^2)  = 1.2390E-02
 Diffusion constant #2  (Bohr^2)  = 1.0049E-02
 Correlation time        (steps)  = 4.4679E+00 +- 5.6342E-01
 Efficiency         (au^-2 s^-1)  = Infinity
 No. of VMC steps per process     = 313

  Block average energies (au)

  Total energy                       (au) =        -113.187632451445
  Standard error                        +/-           0.079613627832

  Kinetic energy KEI (used in Total) (au) =         113.315607075802
  Standard error                        +/-           1.258800949512

  Kinetic energy TI                  (au) =         112.857689409359
  Standard error                        +/-           0.685834168583

  Kinetic energy FISQ                (au) =         112.399771742915
  Standard error                        +/-           0.484893551872

  Potential energy                   (au) =        -268.394826009088
  Standard error                        +/-           1.252500467884

  e-e interaction                    (au) =          80.088717042362
  Standard error                        +/-           0.134026775764

  e-n interaction                    (au) =        -348.483543051449
  Standard error                        +/-           1.309806730426

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =          22.486924539135
  Standard error                        +/-           1.635527487298

  Maximum distance from origin       (au) =           8.216610163594


 Time taken in block    : : :        0.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1         (%)  =  49.8942
 Acceptance ratio #2         (%)  =  49.8565
 Diffusion constant #1  (Bohr^2)  = 1.2747E-02
 Diffusion constant #2  (Bohr^2)  = 1.0304E-02
 Correlation time        (steps)  = 5.5696E+00 +- 9.1244E-01
 Efficiency         (au^-2 s^-1)  = Infinity
 No. of VMC steps per process     = 313

  Block average energies (au)

  Total energy                       (au) =        -113.540911795328
  Standard error                        +/-           0.063646947553

  Kinetic energy KEI (used in Total) (au) =         108.364171294428
  Standard error                        +/-           0.994170012282

  Kinetic energy TI                  (au) =         111.806243675848
  Standard error                        +/-           0.819168358685

  Kinetic energy FISQ                (au) =         115.248316057268
  Standard error                        +/-           1.182724772453

  Potential energy                   (au) =        -263.796669571596
  Standard error                        +/-           1.004156608024

  e-e interaction                    (au) =          79.499417160978
  Standard error                        +/-           0.100799568274

  e-n interaction                    (au) =        -343.296086732575
  Standard error                        +/-           1.054366111685

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =          18.884247098570
  Standard error                        +/-           0.948611560941

  Maximum distance from origin       (au) =           8.260230527199


 Time taken in block    : : :        0.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1         (%)  =  49.9231
 Acceptance ratio #2         (%)  =  49.3348
 Diffusion constant #1  (Bohr^2)  = 1.2863E-02
 Diffusion constant #2  (Bohr^2)  = 1.0110E-02
 Correlation time        (steps)  = 5.3061E+00 +- 9.5565E-01
 Efficiency         (au^-2 s^-1)  = 4.3485E+01
 No. of VMC steps per process     = 313

  Block average energies (au)

  Total energy                       (au) =        -113.178720990952
  Standard error                        +/-           0.068465751462

  Kinetic energy KEI (used in Total) (au) =         123.299521205640
  Standard error                        +/-           0.989474729940

  Kinetic energy TI                  (au) =         118.060102167661
  Standard error                        +/-           0.612852541877

  Kinetic energy FISQ                (au) =         112.820683129682
  Standard error                        +/-           0.665465394601

  Potential energy                   (au) =        -278.369828678432
  Standard error                        +/-           0.971760283021

  e-e interaction                    (au) =          80.386319564082
  Standard error                        +/-           0.125902696364

  e-n interaction                    (au) =        -358.756148242514
  Standard error                        +/-           1.040635497135

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =          21.704727780641
  Standard error                        +/-           1.804021958917

  Maximum distance from origin       (au) =           8.795283329936


 Time taken in block    : : :        1.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1         (%)  =  49.8263
 Acceptance ratio #2         (%)  =  49.7741
 Diffusion constant #1  (Bohr^2)  = 1.2626E-02
 Diffusion constant #2  (Bohr^2)  = 1.0459E-02
 Correlation time        (steps)  = 5.3827E+00 +- 7.3197E-01
 Efficiency         (au^-2 s^-1)  = Infinity
 No. of VMC steps per process     = 313

  Block average energies (au)

  Total energy                       (au) =        -113.372440034001
  Standard error                        +/-           0.051408421712

  Kinetic energy KEI (used in Total) (au) =         118.223654936167
  Standard error                        +/-           1.136672949705

  Kinetic energy TI                  (au) =         115.605037858723
  Standard error                        +/-           0.685085042159

  Kinetic energy FISQ                (au) =         112.986420781279
  Standard error                        +/-           0.649544702649

  Potential energy                   (au) =        -273.487681452008
  Standard error                        +/-           1.138801552252

  e-e interaction                    (au) =          79.631221234890
  Standard error                        +/-           0.095508131461

  e-n interaction                    (au) =        -353.118902686898
  Standard error                        +/-           1.177021628571

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =          18.617237398399
  Standard error                        +/-           0.782471129081

  Maximum distance from origin       (au) =           7.133301759379


 Time taken in block    : : :        0.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1         (%)  =  50.1268
 Acceptance ratio #2         (%)  =  49.8390
 Diffusion constant #1  (Bohr^2)  = 1.2663E-02
 Diffusion constant #2  (Bohr^2)  = 1.0469E-02
 Correlation time        (steps)  = 7.3246E+00 +- 1.3764E+00
 Efficiency         (au^-2 s^-1)  = Infinity
 No. of VMC steps per process     = 313

  Block average energies (au)

  Total energy                       (au) =        -113.117273053511
  Standard error                        +/-           0.081011067885

  Kinetic energy KEI (used in Total) (au) =         119.685900926859
  Standard error                        +/-           0.809703446659

  Kinetic energy TI                  (au) =         116.193217137096
  Standard error                        +/-           0.514624735517

  Kinetic energy FISQ                (au) =         112.700533347334
  Standard error                        +/-           0.588013091394

  Potential energy                   (au) =        -274.694760462210
  Standard error                        +/-           0.793465190878

  e-e interaction                    (au) =          79.944041015380
  Standard error                        +/-           0.123381513517

  e-n interaction                    (au) =        -354.638801477590
  Standard error                        +/-           0.839436465149

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =          38.196136558535
  Standard error                        +/-           5.391948237431

  Maximum distance from origin       (au) =           7.954402817506


 Time taken in block    : : :        0.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1         (%)  =  50.0110
 Acceptance ratio #2         (%)  =  49.6705
 Diffusion constant #1  (Bohr^2)  = 1.2795E-02
 Diffusion constant #2  (Bohr^2)  = 1.0524E-02
 Correlation time        (steps)  = 5.4987E+00 +- 9.3334E-01
 Efficiency         (au^-2 s^-1)  = 5.4510E+01
 No. of VMC steps per process     = 313

  Block average energies (au)

  Total energy                       (au) =        -113.707982881642
  Standard error                        +/-           0.059459787996

  Kinetic energy KEI (used in Total) (au) =         115.232046051151
  Standard error                        +/-           0.923108890880

  Kinetic energy TI                  (au) =         113.970290794222
  Standard error                        +/-           0.630326249556

  Kinetic energy FISQ                (au) =         112.708535537293
  Standard error                        +/-           0.768699483066

  Potential energy                   (au) =        -270.831615414633
  Standard error                        +/-           0.930098569322

  e-e interaction                    (au) =          79.458982772082
  Standard error                        +/-           0.110629315501

  e-n interaction                    (au) =        -350.290598186715
  Standard error                        +/-           0.942968632858

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =          16.708041008416
  Standard error                        +/-           0.914694795192

  Maximum distance from origin       (au) =           7.463627805637


 Time taken in block    : : :        1.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1         (%)  =  50.1038
 Acceptance ratio #2         (%)  =  49.6381
 Diffusion constant #1  (Bohr^2)  = 1.2354E-02
 Diffusion constant #2  (Bohr^2)  = 1.0365E-02
 Correlation time        (steps)  = 7.7254E+00 +- 1.5205E+00
 Efficiency         (au^-2 s^-1)  = Infinity
 No. of VMC steps per process     = 313

  Block average energies (au)

  Total energy                       (au) =        -113.007431369917
  Standard error                        +/-           0.080340205739

  Kinetic energy KEI (used in Total) (au) =         114.600652005447
  Standard error                        +/-           0.965792685770

  Kinetic energy TI                  (au) =         113.955337110738
  Standard error                        +/-           0.669906252039

  Kinetic energy FISQ                (au) =         113.310022216028
  Standard error                        +/-           0.829276675455

  Potential energy                   (au) =        -269.499669857205
  Standard error                        +/-           0.987377005790

  e-e interaction                    (au) =          79.765954306515
  Standard error                        +/-           0.113938065717

  e-n interaction                    (au) =        -349.265624163720
  Standard error                        +/-           0.993263715964

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =          32.921482091249
  Standard error                        +/-           2.723036928082

  Maximum distance from origin       (au) =           7.891741552363


 Time taken in block    : : :        0.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1         (%)  =  49.6635
 Acceptance ratio #2         (%)  =  50.0300
 Diffusion constant #1  (Bohr^2)  = 1.2571E-02
 Diffusion constant #2  (Bohr^2)  = 1.0667E-02
 Correlation time        (steps)  = 4.7595E+00 +- 5.7123E-01
 Efficiency         (au^-2 s^-1)  = Infinity
 No. of VMC steps per process     = 313

  Block average energies (au)

  Total energy                       (au) =        -113.500117752133
  Standard error                        +/-           0.062247084927

  Kinetic energy KEI (used in Total) (au) =         114.763222081712
  Standard error                        +/-           1.249018551774

  Kinetic energy TI                  (au) =         114.237284418540
  Standard error                        +/-           0.867701383844

  Kinetic energy FISQ                (au) =         113.711346755369
  Standard error                        +/-           1.098009827715

  Potential energy                   (au) =        -270.154926315685
  Standard error                        +/-           1.250998982274

  e-e interaction                    (au) =          78.939551867204
  Standard error                        +/-           0.099727675893

  e-n interaction                    (au) =        -349.094478182890
  Standard error                        +/-           1.272035488460

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =          23.616051141424
  Standard error                        +/-           2.195905431955

  Maximum distance from origin       (au) =           8.882664709982


 Time taken in block    : : :        0.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.344445025758 +/- 0.021691023378      No correction
 -113.344445025758 +/- 0.051774310493      Correlation time method
 -113.344445025757 +/- 0.054839085408      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.344445025757 +/-       0.054839085408
    stderr:      0.054839085408 +/-       0.005602464548
    errfac:      2.497026595820 +/-       0.255100953532
    N_corr:      6.235141820233 +/-       1.273987731177
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   2.196175E-02   2.776190E-04
            2   2.809434E-02   5.023258E-04
            4   3.513162E-02   8.886254E-04
            8   4.281298E-02   1.532460E-03
           16   5.000401E-02   2.534490E-03
           32   5.094309E-02   3.661041E-03
           64   5.483909E-02   5.602465E-03  *** BEST ***
          128   5.020602E-02   7.330616E-03
          256   4.485630E-02   9.466404E-03
          512   2.496482E-02   7.806631E-03
         1024   2.283920E-02   1.126125E-02
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 24.027946563688 +- 2.323378588590

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ==================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 1
 ==================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  1.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     4.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00 Bm  4.50000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00 BP  4.50000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  5.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00 JX  4.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
 Jf  3.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00

    Unreweighted variance of energy (a.u.)  :   4.277284E+01
           Unreweighted mean energy (a.u.)  :  -1.176911E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m5s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  1.00000000E+00    -1.68689446E-03     7.96598551E-02    -1.94737233E-01
     5.22258254E-02     2.03421765E-01     5.84037102E-02    -4.36225077E-01
     2.44773114E-01     4.00000000E+00     4.34585904E-04    -1.33594704E-03
     1.18991632E-03    -3.16366713E-04    -4.40206561E-05     2.22202529E-05
     4.02819661E-06    -2.40164844E-06     2.86037133E-07 Bm  4.50000000E+00
     1.06693754E-03    -5.27074032E-05    -1.90434582E-04    -6.32211252E-05
     3.08607523E-05     1.83449022E-03    -1.60838254E-04    -3.10105936E-04
    -9.11224911E-05     4.84696186E-05 BP  4.50000000E+00    -2.26291099E-05
     8.44262080E-06    -4.06536053E-05     1.90545805E-05    -5.77117418E-06
     1.71970941E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.16674440E+00     2.27885190E-03     2.21953683E-04    -9.16347694E-04
     4.79498456E-04    -8.68413897E-05    -1.24491207E-05     5.50871537E-06
    -4.69887743E-07     4.24911005E-03     2.35316029E-04    -1.94791498E-03
     1.37772510E-03    -5.25548863E-04     9.15464954E-05    -3.90328782E-06
    -6.04620119E-07 JX  4.00000000E+00    -1.01555753E-02     9.58094509E-03
    -4.78040839E-03     2.52259996E-03    -1.17589470E-03     2.00794559E-04
 Jf  3.00000000E+00    -7.41707276E-06     4.53366120E-04    -1.74099296E-03
    -1.47802937E-03     1.43511169E-03    -5.56790967E-04     4.48047460E-04
    -2.29494250E-03     3.55106581E-04    -1.08053452E-03     1.49160333E-03
    -2.83722286E-04    -9.22242722E-04    -3.25825001E-04     7.13388439E-04
    -2.10699806E-05     5.54760174E-05    -1.42978367E-04     4.60083266E-04
    -5.96248441E-04     6.61587454E-05     6.22666431E-05     5.92763864E-05
     2.24747734E-04    -9.88395443E-05     2.42106344E-05     5.94839798E-05
    -2.90524185E-03     2.15057331E-03     3.58532482E-03    -2.05007352E-03
     7.94488911E-04     3.61989079E-03     1.83731941E-03    -8.73662469E-04
    -2.40333956E-04     1.59425515E-03    -9.66349036E-04    -1.28002513E-03
     6.03932113E-04     2.33446194E-05     1.97877958E-04    -1.99751730E-04
     1.37050198E-03    -1.59752210E-03     4.63220981E-04     2.58133111E-03
    -6.20276857E-04    -2.05029471E-05    -4.08961463E-05     2.81010251E-05
     1.66524314E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   4.277284E+01 ->   2.068014E+01
           Unreweighted mean energy (a.u.)  :  -1.176911E+02 ->  -1.151634E+02


 Writing parameters to correlation.out.1.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 3
 NL2SOL iteration     : 2

 Current parameters:
 Be  7.16502420E-01    -1.54812004E-03     4.06647663E-02     1.48635443E-01
    -4.72675434E-01    -1.00465477E+00     2.00927378E+00     3.10097934E+00
    -5.12336865E+00     4.21644728E+00     4.26019903E-04    -1.52199104E-03
     1.50671293E-03    -4.75031095E-04    -4.08786774E-05     3.34133422E-05
     4.67762816E-06    -3.06946734E-06     2.90841928E-07 Bm  2.24841129E+00
     9.05010808E-03     1.25941372E-03    -3.74337782E-03    -3.25769414E-03
     1.19682282E-03     1.31644879E-02     1.99783365E-03    -4.98469253E-03
    -4.35713408E-03     1.09531856E-03 BP  4.25624002E+00     2.68597736E-05
    -1.23568412E-05    -6.52161754E-05     2.99765905E-05    -2.95975460E-05
     1.10712455E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.13239501E+00     9.80859583E-03     2.04560605E-03    -2.83656454E-03
     8.86420025E-04     6.07914159E-05    -2.04923907E-05     7.62634408E-07
    -1.28162955E-06     1.68346564E-02     3.75261989E-03    -6.49564148E-03
     4.02041191E-03    -1.15679334E-03     1.10030774E-04     1.06013954E-05
    -1.82694865E-06 JX  4.37191971E+00    -5.26677228E-03     5.21949656E-03
    -6.50189948E-04    -1.65001599E-03     1.10431605E-03    -1.38162930E-04
 Jf  3.01407573E+00     9.88722301E-05     5.59766717E-04    -1.74804470E-03
    -9.37782963E-04     1.17390475E-03    -4.69525252E-04     1.14727566E-04
    -2.64745266E-03     3.10873333E-04    -9.59222081E-04     7.62825573E-04
    -6.72207476E-04    -7.27983120E-04    -4.45763204E-04     1.33461497E-03
    -2.49024215E-04     1.55359733E-04    -3.77355382E-04     9.86912172E-04
    -7.35684373E-04    -5.21756351E-04     2.95457891E-04     4.25325433E-05
     1.51452743E-05    -2.79885654E-05    -9.27861696E-06     1.12107785E-04
    -3.04003503E-03     2.89826688E-03     4.00665721E-03    -2.83798226E-03
     1.09577873E-03     3.44662242E-03     3.27873200E-03    -9.35283534E-04
     6.21401122E-06     9.12697172E-04    -1.77873628E-03    -8.41142663E-04
     9.25055390E-04    -6.92022598E-04     1.63247229E-04    -1.82506950E-04
     1.20144499E-03    -1.27978554E-03     4.02474035E-04     2.68997189E-03
    -8.51367853E-04    -3.04145059E-05     3.39316514E-04    -1.39311371E-05
     1.34743543E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.068014E+01 ->   2.438711E+00
           Unreweighted mean energy (a.u.)  :  -1.151634E+02 ->  -1.138161E+02


 Writing parameters to correlation.out.1.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m3s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 3

 Current parameters:
 Be  7.04796432E-01    -2.88828348E-03     2.69355110E-01    -1.02093820E+00
     2.44847724E-01     3.51143611E+00     6.51812569E-01    -1.52424754E+01
     1.32894951E+01     3.99747882E+00     4.94842523E-04    -1.64307598E-03
     1.64721501E-03    -5.71776132E-04    -2.78404774E-05     4.82934915E-05
     3.53949884E-06    -5.86235267E-06     8.80489619E-07 Bm  2.22389277E+00
    -8.03771734E-03    -2.34387958E-03     1.13101310E-04     7.02230962E-04
     4.03746006E-04    -4.21923135E-03     8.78451158E-04     1.89186935E-03
     1.27485341E-03    -1.44203417E-04 BP  3.91791988E+00     9.29766653E-05
    -3.91546529E-05    -7.72719276E-05     3.60934090E-05    -5.70321602E-05
     2.01874597E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.17845269E+00     7.42127968E-03     2.10301555E-03    -2.62392336E-03
     9.39037654E-04    -2.62537809E-05    -3.59100044E-05     5.40259260E-06
     2.16175649E-06     1.43489207E-02     3.38148746E-03    -6.30487996E-03
     4.40055955E-03    -1.50677441E-03     1.69841130E-04     2.68771336E-05
    -2.99252679E-06 JX  4.44254930E+00    -1.12707705E-02     4.76354840E-03
    -3.80059939E-03     4.11813820E-03    -1.50470846E-03     1.61205831E-04
 Jf  3.03293686E+00    -7.62185499E-05     4.25307240E-04    -1.83647636E-03
    -9.97177373E-04     1.31618804E-03    -5.33310534E-04     3.79145609E-04
    -2.67360508E-03     3.34018023E-04    -1.04895297E-03     1.05581054E-03
     1.59209923E-04    -6.03463131E-04    -4.47714160E-04     1.04113711E-03
    -1.25658637E-04     1.06960937E-04    -9.33496913E-05     4.56245784E-04
    -4.35518335E-04    -4.23809993E-04     2.40919596E-04     4.09418540E-05
    -4.24057488E-06    -4.11808709E-05     3.68277371E-06    -8.13061732E-05
    -3.05586493E-03     2.55240079E-03     3.54065128E-03    -2.35309628E-03
     8.59777240E-04     3.57161718E-03     3.03515367E-03    -8.60670083E-04
    -1.67790782E-04     1.39456238E-03    -1.04623953E-03    -8.58154969E-04
     9.64315367E-04    -1.07083108E-03     2.99875960E-04    -2.18913575E-04
     1.36114740E-03    -1.64904052E-03     5.72893333E-04     2.87311016E-03
    -1.01386284E-03    -1.47956218E-05     5.46439101E-04    -9.10603716E-05
     4.61894070E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.438711E+00 ->   1.871496E+00
           Unreweighted mean energy (a.u.)  :  -1.138161E+02 ->  -1.137478E+02


 Writing parameters to correlation.out.1.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m3s remaining]
 Done. [total CPU time: 3m59s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 4

 Current parameters:
 Be  7.36047782E-01    -3.38421522E-03     2.87868712E-01    -1.02762302E+00
    -9.77092272E-03     4.04144897E+00     3.34210407E-01    -1.45747424E+01
     1.23235231E+01     3.96954804E+00     4.80780649E-04    -1.58890533E-03
     1.69067626E-03    -6.70968797E-04    -9.65241626E-06     6.14428841E-05
     3.00680458E-06    -7.71543516E-06     1.17146172E-06 Bm  2.25134254E+00
    -3.25054435E-02    -6.94581289E-03     8.85335152E-03     7.84133018E-03
    -2.97256645E-03    -2.86235263E-02    -3.40792653E-03     1.18455733E-02
     8.44593270E-03    -4.12617281E-03 BP  4.87259821E+00     5.39011504E-05
    -2.06391659E-05    -2.65664335E-05     1.35021748E-05    -2.01260217E-05
     6.89278930E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.21269566E+00     7.41285189E-03     2.07534316E-03    -2.73856715E-03
     1.11929662E-03    -5.94989264E-05    -5.04364465E-05     8.54870275E-06
     1.74524698E-06     1.42025741E-02     3.36964057E-03    -7.11160044E-03
     5.98381674E-03    -2.51513132E-03     3.63043321E-04     5.95352444E-05
    -1.52089346E-05 JX  4.12776219E+00    -1.37344548E-02     5.45905672E-03
    -2.82463224E-03     2.79836121E-03    -8.78993295E-04     6.86153164E-05
 Jf  3.06267240E+00    -8.09234879E-05     4.01826604E-04    -1.66854316E-03
    -1.15807655E-03     1.32842479E-03    -5.67307488E-04     4.32336967E-04
    -2.41944477E-03     2.95590126E-04    -9.99977954E-04     1.06665258E-03
     4.11982357E-05    -5.47887838E-04    -4.22270403E-04     9.05862604E-04
    -1.22176855E-04     1.13984924E-04    -6.87738377E-05     4.18674789E-04
    -4.37425417E-04    -3.30817102E-04     2.04375423E-04     4.29403097E-05
     2.79836323E-05    -4.14063772E-05     6.72644842E-07    -5.72145415E-05
    -2.88800620E-03     2.46596047E-03     3.25768556E-03    -2.17670812E-03
     7.75140960E-04     3.46608377E-03     3.04489407E-03    -8.14906897E-04
    -2.23887222E-04     1.46353509E-03    -1.07022906E-03    -7.40557262E-04
     9.49473965E-04    -1.28905853E-03     3.16002673E-04    -2.08497646E-04
     1.31627954E-03    -1.59010416E-03     5.13451339E-04     2.87778811E-03
    -1.07703497E-03     9.12320859E-07     6.91341958E-04    -1.21834861E-04
     5.07238275E-05

 Rejected step:
 Variance  :   1.871496E+00 ->   2.170385E+00
 Energy    :  -1.137478E+02 ->  -1.136801E+02

 Current parameters:
 Be  7.34822768E-01    -3.27356119E-03     2.83552184E-01    -1.05137423E+00
     2.45682916E-01     3.46421653E+00     3.24904534E-01    -1.32965978E+01
     1.12980259E+01     4.00786589E+00     4.76882601E-04    -1.55666969E-03
     1.60052966E-03    -5.93129265E-04    -1.97520927E-05     5.17662862E-05
     3.44669424E-06    -6.20785550E-06     8.93796338E-07 Bm  2.25508280E+00
    -1.87833681E-02    -4.50494448E-03     2.77794598E-03     3.18583905E-03
    -3.08553125E-04    -1.53877284E-02    -8.73864215E-04     5.37513855E-03
     3.98875656E-03    -1.45628120E-03 BP  4.82964861E+00     5.03419156E-05
    -1.96657116E-05    -2.71723228E-05     1.39011566E-05    -1.88070564E-05
     6.50368742E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.20488286E+00     7.44474936E-03     1.98198904E-03    -2.59210089E-03
     1.01958363E-03    -4.35099613E-05    -4.28367786E-05     5.64746494E-06
     2.08533027E-06     1.43088396E-02     3.22489550E-03    -6.34789375E-03
     4.80254459E-03    -1.79487881E-03     2.23621834E-04     3.66007444E-05
    -6.66953925E-06 JX  4.18616165E+00    -1.31190923E-02     5.39967381E-03
    -3.71056829E-03     3.70147980E-03    -1.22337317E-03     1.14810504E-04
 Jf  3.05926050E+00    -7.03490955E-05     3.89562351E-04    -1.72840191E-03
    -9.68780876E-04     1.28745911E-03    -5.41165432E-04     4.20564398E-04
    -2.57917163E-03     2.99338930E-04    -1.01056703E-03     1.05991786E-03
     9.82053114E-05    -6.02425800E-04    -4.43422647E-04     1.01901186E-03
    -1.24223966E-04     1.08123124E-04    -6.96877266E-05     4.27995273E-04
    -4.39547073E-04    -3.62510427E-04     2.28166797E-04     4.26753769E-05
    -1.93050748E-06    -3.89640484E-05     1.73862263E-06    -5.73806760E-05
    -2.91289924E-03     2.48882333E-03     3.35106054E-03    -2.24671923E-03
     8.12453629E-04     3.45244935E-03     3.01337786E-03    -8.27678785E-04
    -1.95944861E-04     1.42093682E-03    -1.04601807E-03    -8.30249831E-04
     9.55961964E-04    -1.11544902E-03     2.87220903E-04    -2.06598908E-04
     1.32453422E-03    -1.60500424E-03     5.30785363E-04     2.87844127E-03
    -1.04407922E-03    -6.07103007E-06     6.12580332E-04    -1.02073490E-04
     4.60420886E-05

 Rejected step:
 Variance  :   1.871496E+00 ->   2.046135E+00
 Energy    :  -1.137478E+02 ->  -1.136794E+02

 Current parameters:
 Be  7.34008386E-01    -3.14332637E-03     2.70131358E-01    -1.00043564E+00
     2.60675831E-01     3.19258055E+00     3.82920379E-01    -1.25272198E+01
     1.06081653E+01     4.02922791E+00     4.80945087E-04    -1.56344043E-03
     1.58747294E-03    -5.71792668E-04    -2.35129367E-05     4.86122400E-05
     3.61555850E-06    -5.68720446E-06     7.97569122E-07 Bm  2.25793763E+00
    -1.26193114E-02    -3.46679144E-03     9.44937626E-04     1.66157242E-03
     4.26859392E-04    -9.13965530E-03    -7.77452049E-05     3.05045723E-03
     2.27942554E-03    -5.00502461E-04 BP  4.71456129E+00     5.26954890E-05
    -2.07561020E-05    -3.02646564E-05     1.54574415E-05    -2.07786919E-05
     7.17224062E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.20288320E+00     7.43681214E-03     1.94203752E-03    -2.52691645E-03
     9.76094853E-04    -3.59119595E-05    -3.99169706E-05     5.02811629E-06
     2.03420112E-06     1.43285930E-02     3.19628409E-03    -6.14038039E-03
     4.47815654E-03    -1.60391659E-03     1.89449914E-04     3.00844807E-05
    -4.46459239E-06 JX  4.23245629E+00    -1.26758898E-02     5.33362720E-03
    -4.06847764E-03     4.07188233E-03    -1.37531521E-03     1.37047479E-04
 Jf  3.05388695E+00    -6.64750740E-05     4.02115553E-04    -1.77194892E-03
    -9.38621301E-04     1.29287373E-03    -5.36883688E-04     4.01421307E-04
    -2.63718569E-03     3.05041858E-04    -1.02396212E-03     1.05207664E-03
     1.28960007E-04    -6.07877581E-04    -4.49598894E-04     1.03795383E-03
    -1.25883860E-04     1.07645183E-04    -7.31083234E-05     4.41354915E-04
    -4.43119936E-04    -3.91556680E-04     2.36069237E-04     4.25474525E-05
    -1.71064771E-06    -3.99284103E-05     2.30960434E-06    -5.83765513E-05
    -2.95347963E-03     2.52299024E-03     3.44259532E-03    -2.30928277E-03
     8.42683165E-04     3.47861822E-03     3.02596821E-03    -8.39503310E-04
    -1.82685239E-04     1.40351546E-03    -1.04797898E-03    -8.52250923E-04
     9.57729336E-04    -1.07975202E-03     2.89777639E-04    -2.12317981E-04
     1.33729493E-03    -1.62038637E-03     5.44052434E-04     2.87983262E-03
    -1.02865711E-03    -9.49600409E-06     5.79791370E-04    -9.56342341E-05
     4.53565992E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.871496E+00 ->   1.855273E+00
           Unreweighted mean energy (a.u.)  :  -1.137478E+02 ->  -1.136832E+02


 Writing parameters to correlation.out.1.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 8
 NL2SOL iteration     : 5

 Current parameters:
 Be  7.66472447E-01    -3.35452062E-03     2.47770562E-01    -8.76372929E-01
     2.25297089E-01     2.58303269E+00     3.14607859E-01    -9.22387629E+00
     7.54610651E+00     2.85377238E+00     3.57983976E-04    -2.29257291E-03
     3.11524582E-03    -1.63632742E-03    -1.07689080E-04     2.65452467E-04
     2.50227164E-05    -6.53487521E-05     1.17760005E-05 Bm  2.39494303E+00
    -1.12332782E-02    -2.91733056E-03     7.37698395E-04     1.23121057E-03
     2.95119700E-04    -8.16712561E-03    -9.63675222E-05     2.38802512E-03
     1.68268231E-03    -3.61547516E-04 BP  6.77832713E+00     1.74496301E-05
    -4.97425636E-06    -7.39002200E-06     2.39303353E-06    -3.49014068E-06
     7.70378619E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.22942784E+00     7.66201543E-03     2.21859293E-03    -2.34768934E-03
     1.04831228E-03    -2.47042492E-05    -3.83386226E-05     5.33087345E-06
     2.10151741E-06     1.45326972E-02     3.40926495E-03    -5.97548790E-03
     4.55003785E-03    -1.59449951E-03     1.91009531E-04     3.04076213E-05
    -4.38987256E-06 JX  3.98609829E+00    -1.20895155E-02     5.79076278E-03
    -3.88354971E-03     3.94395019E-03    -1.50356078E-03     1.01270908E-04
 Jf  3.00171869E+00    -6.19156430E-05     3.93366297E-04    -1.77999542E-03
    -9.53696133E-04     1.28433946E-03    -5.51158736E-04     3.84701415E-04
    -2.62846392E-03     3.30632807E-04    -1.01327337E-03     1.04912524E-03
     1.19894863E-04    -6.14988554E-04    -4.51625050E-04     1.03061367E-03
    -1.28525650E-04     1.04311171E-04    -5.85327179E-05     4.39653169E-04
    -4.37643077E-04    -4.00263812E-04     2.34330262E-04     4.16451038E-05
    -5.18619104E-06    -4.10102603E-05     1.07299912E-06    -5.40607892E-05
    -2.95904280E-03     2.51617405E-03     3.42982784E-03    -2.31649674E-03
     8.30922632E-04     3.46576858E-03     3.03246782E-03    -8.23543869E-04
    -1.73893374E-04     1.40154643E-03    -1.05563171E-03    -8.58547115E-04
     9.55927571E-04    -1.08639492E-03     2.87352586E-04    -2.15350728E-04
     1.35039277E-03    -1.62152218E-03     5.49930610E-04     2.87223796E-03
    -1.03021673E-03    -1.03104030E-05     5.76574772E-04    -9.66349720E-05
     4.42289964E-05

 Rejected step:
 Variance  :   1.855273E+00 ->   1.664824E+01
 Energy    :  -1.136832E+02 ->  -1.146724E+02

 Current parameters:
 Be  7.66216362E-01    -2.69110090E-03     2.33238915E-01    -8.74058730E-01
     3.14912072E-01     2.62006736E+00    -3.46449475E-02    -9.82466338E+00
     8.56978424E+00     3.52608416E+00     5.32515654E-04    -1.85939529E-03
     2.07079928E-03    -8.44885195E-04    -3.54263662E-05     9.53719968E-05
     7.59726822E-06    -1.47314108E-05     2.35720441E-06 Bm  2.28490135E+00
    -1.43600028E-02    -3.56872936E-03     1.57180367E-03     2.03304289E-03
    -4.32968591E-05    -1.10612247E-02     5.94271916E-05     4.01453141E-03
     2.82420058E-03    -1.05373323E-03 BP  4.80904621E+00     4.85651325E-05
    -1.94118017E-05    -2.76665907E-05     1.47054259E-05    -1.97370613E-05
     6.32057326E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.23548184E+00     7.29138245E-03     1.82321500E-03    -2.42096981E-03
     9.33956565E-04    -3.28838017E-05    -3.97420005E-05     4.82663812E-06
     1.72346873E-06     1.39341716E-02     3.04155258E-03    -5.99620504E-03
     4.44498050E-03    -1.63445947E-03     2.04267101E-04     3.14079321E-05
    -5.81304608E-06 JX  3.94610490E+00    -1.54153233E-02     5.78106551E-03
    -4.44622103E-03     4.24738489E-03    -1.26550416E-03     9.89041292E-05
 Jf  3.05752782E+00    -6.43289697E-05     4.02453655E-04    -1.75722208E-03
    -9.54486013E-04     1.29239790E-03    -5.38331070E-04     3.97731214E-04
    -2.62342396E-03     3.00519671E-04    -1.01734163E-03     1.04771039E-03
     1.18568040E-04    -6.07631131E-04    -4.50178594E-04     1.04363281E-03
    -1.25284052E-04     1.05766354E-04    -7.33906478E-05     4.41584018E-04
    -4.44312070E-04    -3.84837207E-04     2.34727198E-04     4.32391363E-05
    -4.55313619E-06    -3.99498073E-05     2.82756811E-06    -5.65921597E-05
    -2.94077186E-03     2.52172065E-03     3.40947909E-03    -2.28955320E-03
     8.25798878E-04     3.45660401E-03     3.02601790E-03    -8.36978949E-04
    -1.80003808E-04     1.40286572E-03    -1.05747675E-03    -8.55481495E-04
     9.56088060E-04    -1.07681785E-03     2.88102572E-04    -2.09659172E-04
     1.32846838E-03    -1.60959318E-03     5.35822550E-04     2.88289340E-03
    -1.03072263E-03    -8.23549820E-06     5.84559714E-04    -9.76380797E-05
     4.59187226E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.855273E+00 ->   1.470124E+00
           Unreweighted mean energy (a.u.)  :  -1.136832E+02 ->  -1.137198E+02


 Writing parameters to correlation.out.1.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 10
 NL2SOL iteration     : 6

 Current parameters:
 Be  7.79756384E-01    -2.97256701E-03     2.30648356E-01    -8.30855415E-01
     2.85554821E-01     2.38488859E+00    -3.64268804E-02    -8.63807510E+00
     7.45690390E+00     3.13238419E+00     5.55860167E-04    -2.10740217E-03
     2.60523274E-03    -1.21455833E-03    -5.50486587E-05     1.75847731E-04
     1.72102147E-05    -3.35012947E-05     5.64891986E-06 Bm  2.32570340E+00
    -1.57541854E-02    -3.32532559E-03     2.38109726E-03     2.46105944E-03
    -4.65772276E-04    -1.23493077E-02     5.71933355E-04     5.14024429E-03
     3.35522955E-03    -1.74549744E-03 BP  4.98487662E+00     4.25672009E-05
    -1.69105848E-05    -2.44126208E-05     1.26400805E-05    -1.65057461E-05
     5.31735220E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.28472713E+00     7.00029789E-03     1.68923910E-03    -2.40176445E-03
     9.50555043E-04    -3.47308621E-05    -4.03582907E-05     4.68021018E-06
     1.38092625E-06     1.33298594E-02     2.83274358E-03    -5.84628827E-03
     4.43196499E-03    -1.67108009E-03     2.20458045E-04     3.25653814E-05
    -7.42291231E-06 JX  3.82247834E+00    -1.73891265E-02     5.91238344E-03
    -4.89256217E-03     4.10976256E-03    -8.94699448E-04     6.13239104E-06
 Jf  3.05730050E+00    -6.47125792E-05     3.98661567E-04    -1.75122747E-03
    -9.48742255E-04     1.29019642E-03    -5.37873974E-04     4.01348827E-04
    -2.61967799E-03     2.90739816E-04    -1.01748664E-03     1.04052614E-03
     1.14898044E-04    -6.05758614E-04    -4.49921642E-04     1.04905285E-03
    -1.25203930E-04     1.04068051E-04    -6.56122209E-05     4.42191152E-04
    -4.46949228E-04    -3.82498737E-04     2.34234363E-04     4.35756194E-05
    -5.93770122E-06    -4.00394616E-05     3.31147035E-06    -5.62398428E-05
    -2.94144412E-03     2.51623227E-03     3.41769645E-03    -2.28905535E-03
     8.25892978E-04     3.46231613E-03     3.02164418E-03    -8.42000087E-04
    -1.84132475E-04     1.39791663E-03    -1.06094213E-03    -8.50729408E-04
     9.55677849E-04    -1.07225571E-03     2.86433261E-04    -2.10095244E-04
     1.33397997E-03    -1.60537491E-03     5.30512850E-04     2.88067264E-03
    -1.03163258E-03    -7.70194412E-06     5.87242454E-04    -9.83534669E-05
     4.63430183E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.470124E+00 ->   1.446629E+00
           Unreweighted mean energy (a.u.)  :  -1.137198E+02 ->  -1.137109E+02


 Writing parameters to correlation.out.1.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 11
 NL2SOL iteration     : 7

 Current parameters:
 Be  7.90707012E-01    -3.11930658E-03     2.29031422E-01    -7.98154508E-01
     2.57121321E-01     2.20975232E+00    -8.69907551E-03    -7.75152305E+00
     6.57022172E+00     3.02787751E+00     5.44572230E-04    -2.14602862E-03
     2.78342922E-03    -1.35888390E-03    -6.58059155E-05     2.09410635E-04
     2.19806772E-05    -4.22293386E-05     7.37424178E-06 Bm  2.31130487E+00
    -1.92161721E-02    -3.47088516E-03     3.71047987E-03     3.35463821E-03
    -1.05704937E-03    -1.63475814E-02     5.17173069E-04     6.64625601E-03
     4.28865588E-03    -2.36456343E-03 BP  5.05821288E+00     4.00882369E-05
    -1.60251313E-05    -2.29358178E-05     1.20974588E-05    -1.54916196E-05
     4.95023177E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.41901452E+00     6.21791179E-03     1.50742541E-03    -2.28410677E-03
     9.42947044E-04    -4.40873771E-05    -3.73958786E-05     5.04495830E-06
     4.30661056E-07     1.17895944E-02     2.47989605E-03    -5.51337530E-03
     4.38108625E-03    -1.74310811E-03     2.52118752E-04     3.62236362E-05
    -1.01609994E-05 JX  3.87718293E+00    -1.69764132E-02     6.08024616E-03
    -4.95872881E-03     3.80993243E-03    -7.22057663E-04    -2.22942263E-05
 Jf  3.06034167E+00    -6.50292064E-05     4.00652161E-04    -1.74792228E-03
    -9.32704775E-04     1.28629514E-03    -5.44502426E-04     4.09343945E-04
    -2.62674895E-03     2.91601654E-04    -1.01888611E-03     1.03615586E-03
     1.10360218E-04    -6.04308888E-04    -4.49009200E-04     1.05444361E-03
    -1.23832140E-04     1.04123172E-04    -6.51412524E-05     4.42564357E-04
    -4.44092733E-04    -3.83534850E-04     2.33638119E-04     4.32558592E-05
    -7.16833475E-06    -4.02601049E-05     3.39439611E-06    -5.33421316E-05
    -2.93744267E-03     2.51051352E-03     3.44678139E-03    -2.29134248E-03
     8.21593674E-04     3.46880281E-03     3.00625561E-03    -8.40467803E-04
    -1.85039015E-04     1.39260133E-03    -1.06441174E-03    -8.46893630E-04
     9.56199289E-04    -1.06670576E-03     2.86131271E-04    -2.10418349E-04
     1.33220940E-03    -1.60220834E-03     5.31477910E-04     2.87615189E-03
    -1.03235128E-03    -7.97654074E-06     5.89300501E-04    -9.89301739E-05
     4.66337545E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.446629E+00 ->   1.443775E+00
           Unreweighted mean energy (a.u.)  :  -1.137109E+02 ->  -1.137008E+02


 Writing parameters to correlation.out.1.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 12
 NL2SOL iteration     : 8

 Current parameters:
 Be  8.03156723E-01    -3.21415903E-03     2.26655795E-01    -7.64500869E-01
     2.25217293E-01     2.02908466E+00     2.80488468E-02    -6.85192265E+00
     5.68157716E+00     2.83975638E+00     5.58651713E-04    -2.29667264E-03
     3.17144557E-03    -1.65972038E-03    -8.80483280E-05     2.90003062E-04
     3.35716624E-05    -6.58347562E-05     1.21275885E-05 Bm  2.31062763E+00
    -2.52173549E-02    -3.73073225E-03     6.31228766E-03     5.11983832E-03
    -2.15323664E-03    -2.22623390E-02     3.94769644E-04     9.21281889E-03
     5.85663491E-03    -3.36802007E-03 BP  5.14321091E+00     3.76450623E-05
    -1.50401375E-05    -2.14242447E-05     1.13790808E-05    -1.43407291E-05
     4.54686517E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.48901882E+00     5.90439888E-03     1.49608079E-03    -2.24715052E-03
     9.75761237E-04    -4.15702768E-05    -4.75659399E-05     2.82721751E-06
     2.29061527E-06     1.11844721E-02     2.40237417E-03    -5.37234468E-03
     4.39058673E-03    -1.77868197E-03     2.60766827E-04     3.69852322E-05
    -1.02414629E-05 JX  3.85791162E+00    -1.73570741E-02     6.27934964E-03
    -4.84019691E-03     3.48936162E-03    -5.71516695E-04    -4.67257853E-05
 Jf  3.06107057E+00    -6.92248022E-05     4.08407138E-04    -1.74306901E-03
    -9.51880727E-04     1.28485643E-03    -5.46639473E-04     4.04204685E-04
    -2.62107150E-03     2.91567455E-04    -1.01354557E-03     1.03629176E-03
     1.08503050E-04    -6.03955523E-04    -4.49145066E-04     1.05899607E-03
    -1.22786666E-04     1.03900355E-04    -6.65394639E-05     4.41930351E-04
    -4.45193199E-04    -3.82613903E-04     2.33084581E-04     4.35298718E-05
    -8.07780592E-06    -4.05389561E-05     3.38863749E-06    -5.25780822E-05
    -2.93274663E-03     2.50657334E-03     3.45552874E-03    -2.29075025E-03
     8.19309387E-04     3.46926059E-03     2.99720828E-03    -8.38428818E-04
    -1.84120452E-04     1.39047431E-03    -1.06184163E-03    -8.41413481E-04
     9.55134296E-04    -1.06174484E-03     2.85712498E-04    -2.10038911E-04
     1.33032556E-03    -1.60178845E-03     5.32146725E-04     2.87421898E-03
    -1.03361949E-03    -7.69738769E-06     5.90695504E-04    -9.96627537E-05
     4.68426187E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.443775E+00 ->   1.434587E+00
           Unreweighted mean energy (a.u.)  :  -1.137008E+02 ->  -1.137072E+02


 Writing parameters to correlation.out.1.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 13
 NL2SOL iteration     : 9

 Current parameters:
 Be  8.10204344E-01    -3.28637097E-03     2.25714636E-01    -7.47476955E-01
     2.04169452E-01     1.93508886E+00     6.93748374E-02    -6.35900875E+00
     5.15147924E+00     3.12551875E+00     5.31337642E-04    -2.07908385E-03
     2.65242596E-03    -1.25424838E-03    -6.41833450E-05     1.79826353E-04
     1.95118250E-05    -3.35232266E-05     5.48339382E-06 Bm  2.29644016E+00
    -3.28504137E-02    -4.92263692E-03     9.85684595E-03     7.67894747E-03
    -3.63070193E-03    -2.96029270E-02    -3.97977147E-04     1.24701644E-02
     7.78998127E-03    -4.52910462E-03 BP  5.21031680E+00     3.59231932E-05
    -1.43011709E-05    -2.03756547E-05     1.08069842E-05    -1.34875187E-05
     4.25477593E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.56268639E+00     5.56591612E-03     1.47006935E-03    -2.19697588E-03
     9.70343272E-04    -4.06316300E-05    -4.67807209E-05     2.37463089E-06
     2.12192740E-06     1.05126144E-02     2.29053558E-03    -5.22757101E-03
     4.35962808E-03    -1.80081736E-03     2.72917297E-04     3.83543405E-05
    -1.15229020E-05 JX  3.85533461E+00    -1.76193882E-02     6.44686472E-03
    -4.57813583E-03     3.15736778E-03    -4.61090527E-04    -6.10552074E-05
 Jf  3.06151847E+00    -7.52001501E-05     4.14814791E-04    -1.73852882E-03
    -9.79033650E-04     1.28558050E-03    -5.48950794E-04     4.02728705E-04
    -2.61868687E-03     2.89170577E-04    -1.01046924E-03     1.03946492E-03
     1.04812922E-04    -6.03525178E-04    -4.49194064E-04     1.06243575E-03
    -1.21718187E-04     1.03921859E-04    -6.67016005E-05     4.41432060E-04
    -4.45662746E-04    -3.83427420E-04     2.32754341E-04     4.35946277E-05
    -8.49261746E-06    -4.07447651E-05     3.29820750E-06    -5.27568200E-05
    -2.92745664E-03     2.50014365E-03     3.46732268E-03    -2.28695632E-03
     8.15808279E-04     3.47605929E-03     2.98265844E-03    -8.35461387E-04
    -1.87650637E-04     1.39014192E-03    -1.05963201E-03    -8.34053406E-04
     9.53666735E-04    -1.05898016E-03     2.85512444E-04    -2.09727052E-04
     1.32912800E-03    -1.60213816E-03     5.34784920E-04     2.87332942E-03
    -1.03517783E-03    -7.67538899E-06     5.91980359E-04    -1.00045973E-04
     4.69522578E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.434587E+00 ->   1.430881E+00
           Unreweighted mean energy (a.u.)  :  -1.137072E+02 ->  -1.137077E+02


 Writing parameters to correlation.out.1.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 14
 NL2SOL iteration     : 10

 Current parameters:
 Be  8.14453054E-01    -3.38974426E-03     2.26937769E-01    -7.36232533E-01
     1.86390946E-01     1.87069521E+00     9.79154171E-02    -6.04883335E+00
     4.83237221E+00     2.90129374E+00     5.44275034E-04    -2.24651765E-03
     3.07795671E-03    -1.57643694E-03    -8.84826927E-05     2.61630968E-04
     3.12339949E-05    -5.61863343E-05     9.93029604E-06 Bm  2.34272843E+00
    -3.81487183E-02    -7.67976944E-03     1.39208023E-02     1.04407677E-02
    -5.30946393E-03    -3.39516499E-02    -2.55988120E-03     1.63604582E-02
     9.59782316E-03    -5.91666024E-03 BP  5.24861573E+00     3.48624640E-05
    -1.39136262E-05    -1.97481073E-05     1.05790074E-05    -1.30826334E-05
     4.10196860E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.59855873E+00     5.41896870E-03     1.45822619E-03    -2.16678090E-03
     9.69415650E-04    -3.61064159E-05    -4.81924797E-05     4.55210764E-08
     2.93248183E-06     1.02131416E-02     2.24090277E-03    -5.15909542E-03
     4.35137354E-03    -1.80661558E-03     2.77967705E-04     3.53262937E-05
    -1.08947059E-05 JX  3.85450290E+00    -1.77581868E-02     6.56825203E-03
    -4.27241496E-03     2.79484440E-03    -3.39812748E-04    -7.60416580E-05
 Jf  3.06227495E+00    -7.93150973E-05     4.22562645E-04    -1.73476111E-03
    -1.00800944E-03     1.28721482E-03    -5.49571314E-04     3.98345137E-04
    -2.61307660E-03     2.87326938E-04    -1.00744360E-03     1.04378972E-03
     1.01692096E-04    -6.03611494E-04    -4.49774370E-04     1.06348316E-03
    -1.21020409E-04     1.03926025E-04    -6.70112387E-05     4.40557393E-04
    -4.47201771E-04    -3.81976051E-04     2.32534195E-04     4.38238981E-05
    -8.51230606E-06    -4.08592998E-05     3.16315286E-06    -5.36098325E-05
    -2.92538631E-03     2.49468008E-03     3.47461900E-03    -2.28233603E-03
     8.13596857E-04     3.48081749E-03     2.97009256E-03    -8.34742333E-04
    -1.88994532E-04     1.39149196E-03    -1.05381062E-03    -8.26286180E-04
     9.51386259E-04    -1.05765154E-03     2.84995122E-04    -2.09479246E-04
     1.32956871E-03    -1.60370553E-03     5.36369109E-04     2.87243755E-03
    -1.03695022E-03    -7.37488590E-06     5.93702086E-04    -1.00273544E-04
     4.69411140E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.430881E+00 ->   1.430805E+00
           Unreweighted mean energy (a.u.)  :  -1.137077E+02 ->  -1.137098E+02


 Writing parameters to correlation.out.1.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m7s]

 NL2SOL return code : 10
 Exceeded OPT_MAXITER iterations.

 Optimization halted: minimum not reached within target accuracy.

 Iterations           : 10
 Function evaluations : 25
 Variance reduced to  : 0.14308046E+01

 Writing parameters to correlation.out.1.


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 2
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m10s remaining]
  DTVMC #1:   1.4388E-01 (optimized)
  DTVMC #2:   1.1748E-01 (optimized)
 Done. [total CPU time: 5m7s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.9239
 Acceptance ratio #2 <level 1>        (%)  =  51.2642
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1817
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.5694
 Diffusion constant #1           (Bohr^2)  = 1.1203E-02
 Diffusion constant #2           (Bohr^2)  = 9.0262E-03
 Correlation time                 (steps)  = 4.1061E+00 +- 5.8985E-01
 Efficiency                  (au^-2 s^-1)  = 1.3908E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.837102147636
  Standard error                        +/-           0.018552447672

  Kinetic energy KEI (used in Total) (au) =         116.333342226118
  Standard error                        +/-           1.001716401152

  Kinetic energy TI                  (au) =         114.685782171895
  Standard error                        +/-           0.572820548078

  Kinetic energy FISQ                (au) =         113.038222117672
  Standard error                        +/-           0.521094065769

  Potential energy                   (au) =        -272.062030855594
  Standard error                        +/-           0.996920108493

  e-e interaction                    (au) =          78.208228836497
  Standard error                        +/-           0.107111104178

  e-n interaction                    (au) =        -350.270259692091
  Standard error                        +/-           1.015518087011

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.461540590993
  Standard error                        +/-           0.129420188344

  Maximum distance from origin       (au) =           7.771297938307

  Particles affected per move       (%) :  99.8696


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.8081
 Acceptance ratio #2 <level 1>        (%)  =  51.6286
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1727
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8864
 Diffusion constant #1           (Bohr^2)  = 1.0838E-02
 Diffusion constant #2           (Bohr^2)  = 9.3183E-03
 Correlation time                 (steps)  = 3.9458E+00 +- 4.6007E-01
 Efficiency                  (au^-2 s^-1)  = 1.7946E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.840683608746
  Standard error                        +/-           0.016567257470

  Kinetic energy KEI (used in Total) (au) =         120.443551368927
  Standard error                        +/-           1.148176422800

  Kinetic energy TI                  (au) =         116.697490293921
  Standard error                        +/-           0.636697386485

  Kinetic energy FISQ                (au) =         112.951429218914
  Standard error                        +/-           0.595513730913

  Potential energy                   (au) =        -276.175821459513
  Standard error                        +/-           1.145196680795

  e-e interaction                    (au) =          78.375695149084
  Standard error                        +/-           0.110256111323

  e-n interaction                    (au) =        -354.551516608597
  Standard error                        +/-           1.178803728163

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.414445979776
  Standard error                        +/-           0.089528590857

  Maximum distance from origin       (au) =           8.577973186222

  Particles affected per move       (%) :  99.8211


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.6094
 Acceptance ratio #2 <level 1>        (%)  =  51.4914
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9221
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7641
 Diffusion constant #1           (Bohr^2)  = 1.0834E-02
 Diffusion constant #2           (Bohr^2)  = 8.8629E-03
 Correlation time                 (steps)  = 3.4668E+00 +- 3.7553E-01
 Efficiency                  (au^-2 s^-1)  = 1.5539E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.867510263002
  Standard error                        +/-           0.017802314646

  Kinetic energy KEI (used in Total) (au) =         112.177212299922
  Standard error                        +/-           0.957190509686

  Kinetic energy TI                  (au) =         113.593636131418
  Standard error                        +/-           0.822334531737

  Kinetic energy FISQ                (au) =         115.010059962915
  Standard error                        +/-           1.305727348588

  Potential energy                   (au) =        -267.936309044764
  Standard error                        +/-           0.960439017667

  e-e interaction                    (au) =          78.784357730644
  Standard error                        +/-           0.086833646205

  e-n interaction                    (au) =        -346.720666775408
  Standard error                        +/-           0.988553541466

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.549356444402
  Standard error                        +/-           0.131923094775

  Maximum distance from origin       (au) =           6.873662393193

  Particles affected per move       (%) :  99.9391


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.7861
 Acceptance ratio #2 <level 1>        (%)  =  51.9656
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1238
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1685
 Diffusion constant #1           (Bohr^2)  = 1.0896E-02
 Diffusion constant #2           (Bohr^2)  = 8.9917E-03
 Correlation time                 (steps)  = 4.1457E+00 +- 5.1395E-01
 Efficiency                  (au^-2 s^-1)  = 1.7662E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.825142378022
  Standard error                        +/-           0.016205704417

  Kinetic energy KEI (used in Total) (au) =         110.663158743063
  Standard error                        +/-           0.817084411808

  Kinetic energy TI                  (au) =         112.020312592237
  Standard error                        +/-           0.622243136458

  Kinetic energy FISQ                (au) =         113.377466441412
  Standard error                        +/-           0.917634972842

  Potential energy                   (au) =        -266.379887602925
  Standard error                        +/-           0.817579364304

  e-e interaction                    (au) =          77.923774235204
  Standard error                        +/-           0.104118670939

  e-n interaction                    (au) =        -344.303661838130
  Standard error                        +/-           0.847754544413

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.367913219581
  Standard error                        +/-           0.072368678226

  Maximum distance from origin       (au) =           7.475810325945

  Particles affected per move       (%) :  99.9651


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  52.1785
 Acceptance ratio #2 <level 1>        (%)  =  51.7509
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.4004
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8677
 Diffusion constant #1           (Bohr^2)  = 1.1038E-02
 Diffusion constant #2           (Bohr^2)  = 8.6672E-03
 Correlation time                 (steps)  = 3.7485E+00 +- 4.4756E-01
 Efficiency                  (au^-2 s^-1)  = 1.3841E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.795294109452
  Standard error                        +/-           0.017831223734

  Kinetic energy KEI (used in Total) (au) =         112.341160741487
  Standard error                        +/-           0.958663708981

  Kinetic energy TI                  (au) =         113.100160809663
  Standard error                        +/-           0.557773294565

  Kinetic energy FISQ                (au) =         113.859160877839
  Standard error                        +/-           0.592198995182

  Potential energy                   (au) =        -268.028041332779
  Standard error                        +/-           0.961202832010

  e-e interaction                    (au) =          78.878000994515
  Standard error                        +/-           0.129300555674

  e-n interaction                    (au) =        -346.906042327294
  Standard error                        +/-           1.008608801507

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.608779470474
  Standard error                        +/-           0.171788132699

  Maximum distance from origin       (au) =           7.684502387307

  Particles affected per move       (%) :  99.9153


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.7262
 Acceptance ratio #2 <level 1>        (%)  =  51.9169
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9770
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1884
 Diffusion constant #1           (Bohr^2)  = 1.1216E-02
 Diffusion constant #2           (Bohr^2)  = 9.2746E-03
 Correlation time                 (steps)  = 4.2651E+00 +- 5.8069E-01
 Efficiency                  (au^-2 s^-1)  = 1.9154E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.809794986601
  Standard error                        +/-           0.015754964725

  Kinetic energy KEI (used in Total) (au) =         103.796281835126
  Standard error                        +/-           0.896347347824

  Kinetic energy TI                  (au) =         107.969012419793
  Standard error                        +/-           0.470144931994

  Kinetic energy FISQ                (au) =         112.141743004461
  Standard error                        +/-           0.379917495929

  Potential energy                   (au) =        -259.497663303567
  Standard error                        +/-           0.898674828801

  e-e interaction                    (au) =          77.787159142251
  Standard error                        +/-           0.107406590777

  e-n interaction                    (au) =        -337.284822445818
  Standard error                        +/-           0.920106851284

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.226019871408
  Standard error                        +/-           0.044368348275

  Maximum distance from origin       (au) =           7.500422558133

  Particles affected per move       (%) :  99.8709


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.8680
 Acceptance ratio #2 <level 1>        (%)  =  51.9431
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1328
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1797
 Diffusion constant #1           (Bohr^2)  = 1.0999E-02
 Diffusion constant #2           (Bohr^2)  = 8.9963E-03
 Correlation time                 (steps)  = 3.4015E+00 +- 3.5306E-01
 Efficiency                  (au^-2 s^-1)  = 2.3386E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.849803932823
  Standard error                        +/-           0.015617450508

  Kinetic energy KEI (used in Total) (au) =         105.995795143919
  Standard error                        +/-           1.018876057269

  Kinetic energy TI                  (au) =         109.622294839232
  Standard error                        +/-           0.681762949365

  Kinetic energy FISQ                (au) =         113.248794534545
  Standard error                        +/-           0.896688743971

  Potential energy                   (au) =        -261.737185558583
  Standard error                        +/-           1.017933797029

  e-e interaction                    (au) =          78.152546448625
  Standard error                        +/-           0.110924025762

  e-n interaction                    (au) =        -339.889732007208
  Standard error                        +/-           1.061042175198

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.259081458567
  Standard error                        +/-           0.052399140733

  Maximum distance from origin       (au) =           7.326520567737

  Particles affected per move       (%) :  99.9196


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.6464
 Acceptance ratio #2 <level 1>        (%)  =  51.7722
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9191
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9988
 Diffusion constant #1           (Bohr^2)  = 1.1153E-02
 Diffusion constant #2           (Bohr^2)  = 8.9765E-03
 Correlation time                 (steps)  = 4.1118E+00 +- 5.8536E-01
 Efficiency                  (au^-2 s^-1)  = 1.2775E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.810404744911
  Standard error                        +/-           0.017332485105

  Kinetic energy KEI (used in Total) (au) =         121.147095134616
  Standard error                        +/-           0.867478323760

  Kinetic energy TI                  (au) =         117.274943484684
  Standard error                        +/-           0.567981762809

  Kinetic energy FISQ                (au) =         113.402791834752
  Standard error                        +/-           0.699514767560

  Potential energy                   (au) =        -276.849086361367
  Standard error                        +/-           0.866312725816

  e-e interaction                    (au) =          78.416313848580
  Standard error                        +/-           0.102795678543

  e-n interaction                    (au) =        -355.265400209947
  Standard error                        +/-           0.891606279409

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.589038520784
  Standard error                        +/-           0.153627262550

  Maximum distance from origin       (au) =           7.497756272768

  Particles affected per move       (%) :  99.9284


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.8051
 Acceptance ratio #2 <level 1>        (%)  =  51.7272
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0679
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9900
 Diffusion constant #1           (Bohr^2)  = 1.0784E-02
 Diffusion constant #2           (Bohr^2)  = 8.8356E-03
 Correlation time                 (steps)  = 3.9173E+00 +- 5.0440E-01
 Efficiency                  (au^-2 s^-1)  = 1.7968E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.842007364936
  Standard error                        +/-           0.016943404364

  Kinetic energy KEI (used in Total) (au) =         109.879540369997
  Standard error                        +/-           1.076527675599

  Kinetic energy TI                  (au) =         111.473094280640
  Standard error                        +/-           0.606992615721

  Kinetic energy FISQ                (au) =         113.066648191284
  Standard error                        +/-           0.559020435461

  Potential energy                   (au) =        -265.613134216773
  Standard error                        +/-           1.078054327378

  e-e interaction                    (au) =          78.040384073814
  Standard error                        +/-           0.105803682709

  e-n interaction                    (au) =        -343.653518290587
  Standard error                        +/-           1.130202022411

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.422999803337
  Standard error                        +/-           0.092995728119

  Maximum distance from origin       (au) =           8.115839188587

  Particles affected per move       (%) :  99.9221


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.9868
 Acceptance ratio #2 <level 1>        (%)  =  51.6499
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2646
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9351
 Diffusion constant #1           (Bohr^2)  = 1.0906E-02
 Diffusion constant #2           (Bohr^2)  = 9.2466E-03
 Correlation time                 (steps)  = 4.4854E+00 +- 7.2570E-01
 Efficiency                  (au^-2 s^-1)  = 1.1710E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.856636418174
  Standard error                        +/-           0.018753475657

  Kinetic energy KEI (used in Total) (au) =         113.007695029127
  Standard error                        +/-           0.942225642804

  Kinetic energy TI                  (au) =         112.712055308106
  Standard error                        +/-           0.517468637698

  Kinetic energy FISQ                (au) =         112.416415587085
  Standard error                        +/-           0.444596467855

  Potential energy                   (au) =        -268.755917929142
  Standard error                        +/-           0.943229696291

  e-e interaction                    (au) =          78.265974174908
  Standard error                        +/-           0.091342887036

  e-n interaction                    (au) =        -347.021892104050
  Standard error                        +/-           0.961224697831

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.589053807864
  Standard error                        +/-           0.241850296120

  Maximum distance from origin       (au) =           8.114285697518

  Particles affected per move       (%) :  99.9743


 Time taken in block    : : :        6.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.833437995430 +/- 0.005429447827      No correction
 -113.833437995430 +/- 0.010803659583      Correlation time method
 -113.833437995430 +/- 0.009772095622      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.833437995430 +/-       0.009772095622
    stderr:      0.009772095622 +/-       0.000998335747
    errfac:      1.797944789829 +/-       0.183681435773
    N_corr:      3.232605467274 +/-       0.660498160873
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.435148E-03   6.870583E-05
            2   6.481719E-03   1.158929E-04
            4   7.499562E-03   1.896952E-04
            8   8.828484E-03   3.160092E-04
           16   9.314753E-03   4.721250E-04
           32   9.351828E-03   6.720720E-04
           64   9.772096E-03   9.983357E-04  *** BEST ***
          128   9.118118E-03   1.331343E-03
          256   8.777529E-03   1.852396E-03
          512   1.010830E-02   3.160919E-03
         1024   1.395847E-02   6.882457E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.448822916719 +- 0.043361266764

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ==================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 2
 ==================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  8.14453054E-01    -3.38974426E-03     2.26937769E-01    -7.36232533E-01
     1.86390946E-01     1.87069521E+00     9.79154171E-02    -6.04883335E+00
     4.83237221E+00     2.90129374E+00     5.44275034E-04    -2.24651765E-03
     3.07795671E-03    -1.57643694E-03    -8.84826927E-05     2.61630968E-04
     3.12339949E-05    -5.61863343E-05     9.93029604E-06 Bm  2.34272843E+00
    -3.81487183E-02    -7.67976944E-03     1.39208023E-02     1.04407677E-02
    -5.30946393E-03    -3.39516499E-02    -2.55988120E-03     1.63604582E-02
     9.59782316E-03    -5.91666024E-03 BP  5.24861573E+00     3.48624640E-05
    -1.39136262E-05    -1.97481073E-05     1.05790074E-05    -1.30826334E-05
     4.10196860E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.59855873E+00     5.41896870E-03     1.45822619E-03    -2.16678090E-03
     9.69415650E-04    -3.61064159E-05    -4.81924797E-05     4.55210764E-08
     2.93248183E-06     1.02131416E-02     2.24090277E-03    -5.15909542E-03
     4.35137354E-03    -1.80661558E-03     2.77967705E-04     3.53262937E-05
    -1.08947059E-05 JX  3.85450290E+00    -1.77581868E-02     6.56825203E-03
    -4.27241496E-03     2.79484440E-03    -3.39812748E-04    -7.60416580E-05
 Jf  3.06227495E+00    -7.93150973E-05     4.22562645E-04    -1.73476111E-03
    -1.00800944E-03     1.28721482E-03    -5.49571314E-04     3.98345137E-04
    -2.61307660E-03     2.87326938E-04    -1.00744360E-03     1.04378972E-03
     1.01692096E-04    -6.03611494E-04    -4.49774370E-04     1.06348316E-03
    -1.21020409E-04     1.03926025E-04    -6.70112387E-05     4.40557393E-04
    -4.47201771E-04    -3.81976051E-04     2.32534195E-04     4.38238981E-05
    -8.51230606E-06    -4.08592998E-05     3.16315286E-06    -5.36098325E-05
    -2.92538631E-03     2.49468008E-03     3.47461900E-03    -2.28233603E-03
     8.13596857E-04     3.48081749E-03     2.97009256E-03    -8.34742333E-04
    -1.88994532E-04     1.39149196E-03    -1.05381062E-03    -8.26286180E-04
     9.51386259E-04    -1.05765154E-03     2.84995122E-04    -2.09479246E-04
     1.32956871E-03    -1.60370553E-03     5.36369109E-04     2.87243755E-03
    -1.03695022E-03    -7.37488590E-06     5.93702086E-04    -1.00273544E-04
     4.69411140E-05

    Unreweighted variance of energy (a.u.)  :   1.541459E+00
           Unreweighted mean energy (a.u.)  :  -1.138460E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  8.10061369E-01    -3.75888596E-03    -6.45591035E-02     8.85757600E-01
    -2.24820455E+00    -4.04775866E-01     9.35184622E+00    -1.30171717E+01
     5.53047236E+00     1.46409054E+00     1.44431819E-03    -1.22083630E-02
     3.10482519E-02    -2.47515107E-02    -1.40792325E-03     9.28586769E-04
     2.03579249E-03     7.64856991E-03    -4.85847477E-03 Bm  2.41251923E+00
     2.28092561E-02    -4.07980611E-01     6.23144225E-01    -3.23426899E-01
     5.54269131E-02     1.92251760E-02    -3.74591783E-01     5.82227619E-01
    -3.03999715E-01     5.19146509E-02 BP  5.98406604E+00     7.08147631E-05
    -2.47120045E-05    -3.90214356E-05     1.32598418E-05    -1.57903582E-05
     5.65905444E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.66580466E+00     4.93096808E-03     5.02576963E-03    -1.10141718E-02
     9.70803935E-03    -4.12618141E-03     7.46334453E-04     5.32557771E-06
    -1.32291165E-05     9.11526872E-03     2.94664085E-03    -8.55969538E-03
     1.15894325E-02    -9.01922024E-03     3.99973285E-03    -9.21405641E-04
     8.54195769E-05 JX  3.81096145E+00    -1.84053051E-02     3.53009415E-03
     9.43207461E-03    -1.12891728E-02     5.07670204E-03    -7.78301406E-04
 Jf  2.98831647E+00    -1.26627591E-04     4.74509634E-04    -1.72867697E-03
    -1.55358964E-03     1.41011189E-03    -6.30751679E-04     2.52175273E-04
    -2.49087966E-03     2.58694171E-04    -9.81401207E-04     1.12193415E-03
    -5.09867491E-05    -1.01637944E-03    -3.42480982E-04     1.34680616E-03
    -2.07040111E-04     1.39439463E-04    -1.15632889E-04     4.78320006E-04
    -4.91135360E-04    -1.50342322E-04     2.10732875E-04     3.06177723E-05
    -6.71449084E-05    -3.35726626E-06    -1.60888484E-05    -5.50947292E-05
    -3.47434030E-03     2.84949239E-03     4.30873728E-03    -2.89789111E-03
     1.09256639E-03     4.03968634E-03     3.16358023E-03    -9.06647205E-04
    -2.28486434E-04     1.85840732E-03    -1.64506230E-03    -1.01197179E-03
     9.82704216E-04    -1.35227363E-03     4.67931520E-04    -3.12743926E-04
     1.40758368E-03    -1.66073434E-03     4.13300419E-04     3.29011311E-03
    -1.18018148E-03     1.70832984E-05     8.52523629E-04    -1.96068161E-04
     8.87317104E-05

 Rejected step:
 Variance  :   1.541459E+00 ->   1.735810E+00
 Energy    :  -1.138460E+02 ->  -1.138522E+02

 Current parameters:
 Be  8.10527749E-01    -4.06594320E-03     1.33015424E-01    -3.41249092E-01
    -1.33201168E-01     1.15732921E+00     6.94267108E-01    -4.00417261E+00
     2.58776417E+00     2.21814206E+00     1.09187185E-03    -5.98360185E-03
     9.86584694E-03    -4.66870760E-03    -1.41493393E-03     9.37413306E-04
     4.38846697E-04    -2.25399415E-04     1.18186090E-05 Bm  2.42693295E+00
    -4.15780779E-02    -1.11392070E-01     2.14371715E-01    -1.08525992E-01
     1.71515742E-02    -3.97599135E-02    -9.09113554E-02     1.86352429E-01
    -9.51963083E-02     1.47120489E-02 BP  5.80280826E+00     2.86829583E-05
    -1.05910598E-05    -1.57744903E-05     5.63824669E-06    -7.37399451E-06
     2.80040679E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.63036898E+00     5.12330194E-03     2.86260701E-03    -5.13791520E-03
     3.21902942E-03    -5.22919404E-04    -2.49420681E-04     1.14949431E-04
    -1.32482450E-05     9.39452761E-03     2.21476201E-03    -4.68674051E-03
     4.23496884E-03    -2.03834024E-03     5.00679771E-04    -3.96496547E-05
    -2.50079520E-06 JX  3.87608216E+00    -1.73067930E-02     5.48517997E-03
     1.78235496E-03    -3.00595804E-03     1.62642151E-03    -2.89084427E-04
 Jf  3.01439849E+00    -1.11218279E-04     4.24279452E-04    -1.70827243E-03
    -1.26860373E-03     1.35590362E-03    -6.07156021E-04     2.78170272E-04
    -2.48191471E-03     2.33622477E-04    -9.58104184E-04     1.03402981E-03
     1.08652625E-04    -7.52064101E-04    -4.10068110E-04     9.72037719E-04
    -8.79474426E-05     9.61616049E-05    -6.67615432E-05     4.38841107E-04
    -4.47602574E-04    -3.40664453E-04     2.54884259E-04     3.32116292E-05
    -2.89468465E-05    -3.01868976E-05    -2.89868571E-06    -5.35485281E-05
    -3.11558540E-03     2.55318831E-03     3.61881039E-03    -2.44016505E-03
     8.93877492E-04     3.63272356E-03     2.93589128E-03    -8.77950016E-04
    -2.16013207E-04     1.59137803E-03    -1.15934516E-03    -9.59641299E-04
     9.37612288E-04    -1.03645422E-03     2.92612348E-04    -2.16136778E-04
     1.39741333E-03    -1.63944644E-03     4.79542385E-04     2.92452376E-03
    -1.03068576E-03    -2.13763973E-06     6.57651205E-04    -1.23992596E-04
     5.63007996E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.541459E+00 ->   1.492802E+00
           Unreweighted mean energy (a.u.)  :  -1.138460E+02 ->  -1.138485E+02


 Writing parameters to correlation.out.2.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.09539067E-01    -3.57793348E-03     4.16947548E-02     1.12751881E-02
    -2.61948182E-01     3.93321419E-01     5.76896083E-01    -1.75882447E+00
     1.02774686E+00     1.92302620E+00     1.62516612E-03    -9.15414217E-03
     1.50856227E-02    -8.52446715E-03    -1.88517406E-04     2.18872460E-03
    -1.46398842E-04    -1.24120417E-03     5.43952972E-04 Bm  2.43250564E+00
    -3.17861632E-02    -1.98407494E-01     3.45370410E-01    -1.77062496E-01
     2.90630600E-02    -2.83486322E-02    -1.78958608E-01     3.19871034E-01
    -1.67292986E-01     2.80057292E-02 BP  6.74673814E+00     2.41214951E-05
    -8.64016656E-06    -1.28478972E-05     4.06921020E-06    -5.34337817E-06
     2.03864287E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.51309186E+00     5.47317842E-03     4.35189481E-03    -8.05382926E-03
     5.44414545E-03    -1.13986530E-03    -3.23109985E-04     1.85377992E-04
    -2.29342490E-05     1.02699438E-02     2.62400716E-03    -5.72890849E-03
     5.72325948E-03    -3.40532130E-03     1.24720842E-03    -2.50977290E-04
     2.16303335E-05 JX  3.90294665E+00    -1.70125613E-02     4.84303723E-03
     5.51589414E-03    -7.14931054E-03     3.25937577E-03    -5.05808797E-04
 Jf  3.02119944E+00    -1.26212337E-04     4.45964358E-04    -1.60800083E-03
    -1.52495826E-03     1.36024246E-03    -6.21485997E-04     2.07780038E-04
    -2.22960597E-03     2.38287363E-04    -8.88638235E-04     9.93708748E-04
     3.07917765E-05    -8.17975044E-04    -3.45695407E-04     9.90060827E-04
    -1.31254019E-04     1.17047490E-04    -1.01930910E-04     4.26003460E-04
    -4.21868823E-04    -2.70275736E-04     2.54835930E-04     2.02453483E-05
    -8.35537907E-05     3.99327614E-07    -1.68233442E-05    -5.37437923E-05
    -3.23880398E-03     2.63075001E-03     3.90778086E-03    -2.67364777E-03
     1.02298526E-03     3.70873044E-03     2.91950031E-03    -8.63508524E-04
    -1.89580947E-04     1.74644646E-03    -1.40095491E-03    -1.09906054E-03
     9.24883527E-04    -1.08191732E-03     3.92117812E-04    -2.82370357E-04
     1.35286424E-03    -1.61422214E-03     4.07914538E-04     3.05379757E-03
    -1.03314695E-03     2.16226703E-06     6.90055744E-04    -1.52957464E-04
     7.45494488E-05

 Rejected step:
 Variance  :   1.492802E+00 ->   1.519359E+00
 Energy    :  -1.138485E+02 ->  -1.138527E+02

 Current parameters:
 Be  9.47560984E-01    -3.41925723E-03     6.05043147E-02    -1.11676161E-01
    -5.62587968E-02     4.40219833E-01     1.72191529E-01    -1.41350725E+00
     9.33343089E-01     2.00042174E+00     1.58933249E-03    -8.59879157E-03
     1.31145790E-02    -5.63689003E-03    -1.57597007E-03     1.34458650E-03
     3.50318929E-04    -6.47128876E-04     2.17308159E-04 Bm  2.43085287E+00
    -4.49869033E-02    -1.33804747E-01     2.56460183E-01    -1.30806402E-01
     2.09213389E-02    -4.17026389E-02    -1.11628423E-01     2.25701859E-01
    -1.17952155E-01     1.93019980E-02 BP  6.28941751E+00     2.29870709E-05
    -8.46325253E-06    -1.28111147E-05     4.19160398E-06    -5.29651105E-06
     2.10974447E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.53085982E+00     5.42117615E-03     3.68649402E-03    -6.63164286E-03
     4.25333913E-03    -7.19103254E-04    -3.41842744E-04     1.61620150E-04
    -1.87249523E-05     1.01339381E-02     2.39676882E-03    -4.87722070E-03
     4.31841282E-03    -2.15185500E-03     6.40890490E-04    -1.02374334E-04
     7.11534718E-06 JX  3.92762672E+00    -1.66168615E-02     5.31594709E-03
     3.46594559E-03    -4.95511856E-03     2.36510479E-03    -3.82434691E-04
 Jf  3.02478130E+00    -1.21082622E-04     4.34983618E-04    -1.65452910E-03
    -1.42183644E-03     1.36970898E-03    -6.25319389E-04     2.34465048E-04
    -2.33598356E-03     2.33921953E-04    -9.10878909E-04     1.02062488E-03
     8.10311444E-05    -7.80492054E-04    -3.83187588E-04     9.18446927E-04
    -8.75975189E-05     9.95595479E-05    -8.35476848E-05     4.21095336E-04
    -4.30356947E-04    -3.13867474E-04     2.66568888E-04     2.52342297E-05
    -5.62195472E-05    -1.71395058E-05    -8.81975691E-06    -5.31074694E-05
    -3.15230927E-03     2.57486729E-03     3.70434572E-03    -2.54988550E-03
     9.66727854E-04     3.61707421E-03     2.92765071E-03    -8.64537703E-04
    -1.91407718E-04     1.67720097E-03    -1.27229613E-03    -1.07008864E-03
     9.37225033E-04    -1.03019124E-03     3.32587927E-04    -2.48489154E-04
     1.36431515E-03    -1.62139612E-03     4.32105521E-04     2.98889009E-03
    -1.02219885E-03    -2.31167718E-06     6.66297566E-04    -1.34843636E-04
     6.43680958E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.492802E+00 ->   1.484777E+00
           Unreweighted mean energy (a.u.)  :  -1.138485E+02 ->  -1.138523E+02


 Writing parameters to correlation.out.2.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 6
 NL2SOL iteration     : 3

 Current parameters:
 Be  9.78573191E-01    -3.80863285E-03     6.27304409E-02    -7.15711068E-02
    -1.05861335E-01     2.90644938E-01     1.87536698E-01    -9.36719810E-01
     5.99368757E-01     2.02585436E+00     1.65410201E-03    -9.10500405E-03
     1.52775786E-02    -8.83008484E-03    -9.86880641E-04     2.31731982E-03
     4.09740914E-04    -8.78708018E-04     2.09198402E-04 Bm  2.49109995E+00
    -4.62803257E-02    -1.41056000E-01     2.75962709E-01    -1.44582565E-01
     2.38502759E-02    -4.47798226E-02    -1.15623828E-01     2.37150834E-01
    -1.24516248E-01     2.03760583E-02 BP  6.19209217E+00     2.66057784E-05
    -9.92655301E-06    -1.42816319E-05     5.03877556E-06    -6.63855838E-06
     2.57823346E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.65491671E+00     4.89201377E-03     3.91948187E-03    -7.46622919E-03
     5.13413786E-03    -1.01996611E-03    -4.24543578E-04     2.35886540E-04
    -3.15486951E-05     9.11568919E-03     2.31821386E-03    -5.07451549E-03
     4.89310420E-03    -2.63155750E-03     7.75890321E-04    -9.86434642E-05
     1.58816723E-06 JX  3.92166206E+00    -1.66890671E-02     5.06550531E-03
     4.63937829E-03    -6.28507512E-03     2.92394328E-03    -4.61096360E-04
 Jf  3.01349391E+00    -1.23735479E-04     4.09131075E-04    -1.61911610E-03
    -1.43603271E-03     1.34988182E-03    -6.19344573E-04     2.55520792E-04
    -2.27182782E-03     2.29903358E-04    -8.98887488E-04     1.00499559E-03
     3.54864826E-05    -7.93173680E-04    -3.67963257E-04     9.20921888E-04
    -9.71555537E-05     1.03599383E-04    -8.87043082E-05     4.25108195E-04
    -4.25715169E-04    -3.03214145E-04     2.69874146E-04     2.17701894E-05
    -6.97098653E-05    -1.02914301E-05    -1.16275353E-05    -5.28319898E-05
    -3.23687459E-03     2.61995399E-03     3.84250289E-03    -2.61842177E-03
     9.85144955E-04     3.70573486E-03     2.91011971E-03    -8.80683443E-04
    -1.94593790E-04     1.72640637E-03    -1.33055225E-03    -1.12210548E-03
     9.32329057E-04    -1.02466149E-03     3.57911506E-04    -2.62593509E-04
     1.38117815E-03    -1.63904565E-03     4.27304463E-04     3.03953151E-03
    -1.02475327E-03    -4.20706759E-07     6.79314348E-04    -1.46870919E-04
     7.09895138E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.484777E+00 ->   1.471022E+00
           Unreweighted mean energy (a.u.)  :  -1.138523E+02 ->  -1.138514E+02


 Writing parameters to correlation.out.2.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 7
 NL2SOL iteration     : 4

 Current parameters:
 Be  9.83428893E-01    -3.79867874E-03     5.78830794E-02    -4.38976016E-02
    -1.37425037E-01     2.31810551E-01     2.32096646E-01    -7.54525293E-01
     4.30700661E-01     1.26915190E+00     2.09334563E-03    -1.48877044E-02
     3.48500197E-02    -3.52295372E-02     1.15068886E-03     2.60561060E-02
     2.51423805E-03    -2.68133082E-02     1.11511850E-02 Bm  2.62576184E+00
    -5.51644758E-02    -1.10450550E-01     2.46546185E-01    -1.34578346E-01
     2.28746316E-02    -5.24201515E-02    -8.83263001E-02     2.13177787E-01
    -1.18349161E-01     2.02257862E-02 BP  6.26875477E+00     2.80211082E-05
    -1.04328953E-05    -1.45381752E-05     5.06184380E-06    -6.89066678E-06
     2.68433643E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.44291544E+00     5.79219176E-03     4.68074126E-03    -8.68435813E-03
     5.86286243E-03    -1.11081676E-03    -4.93146738E-04     2.61519970E-04
    -3.33690143E-05     1.08198447E-02     2.78704346E-03    -5.87996638E-03
     5.51184343E-03    -2.92906825E-03     9.00482308E-04    -1.37985954E-04
     7.97153572E-06 JX  3.92413966E+00    -1.68061735E-02     5.13709968E-03
     4.83542513E-03    -6.63449167E-03     3.08247132E-03    -4.87340585E-04
 Jf  3.01575117E+00    -1.23015741E-04     3.95448942E-04    -1.58198677E-03
    -1.43140079E-03     1.33407714E-03    -6.18299593E-04     2.49156404E-04
    -2.21714955E-03     2.24320182E-04    -8.75159091E-04     9.85459354E-04
     2.98286186E-05    -7.96966121E-04    -3.57904761E-04     9.22130943E-04
    -1.05148340E-04     1.09456749E-04    -8.95074215E-05     4.14784715E-04
    -4.16236368E-04    -2.92409573E-04     2.70055278E-04     2.00482045E-05
    -8.04193438E-05    -5.11236379E-06    -1.44058037E-05    -5.26260821E-05
    -3.24557776E-03     2.65630913E-03     3.86793630E-03    -2.67717294E-03
     1.02164761E-03     3.69284908E-03     2.96598972E-03    -8.79173657E-04
    -1.80589879E-04     1.73848840E-03    -1.35759498E-03    -1.15025662E-03
     9.44599956E-04    -1.05102844E-03     3.77509856E-04    -2.75630882E-04
     1.37597177E-03    -1.64723531E-03     4.26797385E-04     3.07124942E-03
    -1.02932782E-03    -1.10203196E-06     6.81645316E-04    -1.49769863E-04
     7.31198885E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.471022E+00 ->   1.497757E+00
           Unreweighted mean energy (a.u.)  :  -1.138514E+02 ->  -1.138531E+02


 Writing parameters to correlation.out.2.

 Current parameters:
 Be  2.23965928E+00     2.60419621E-02     1.59825511E-02    -1.48039188E-02
    -1.22985681E-02     3.31954713E-04     3.74663792E-04    -2.13272077E-03
     1.93554415E-03     1.00808549E+02    -7.04109598E-03    -7.05670018E-04
     6.26922726E-06     5.54216542E-08     2.09572593E-09     2.73145713E-11
    -2.88280553E-14    -7.50424481E-15    -1.58256947E-16 Bm  3.05839301E+01
    -2.33847551E-03    -1.85418288E-04     9.65978545E-06    -4.43903957E-07
     1.75815511E-08    -4.61695578E-03    -5.42930693E-05     1.14721734E-05
    -3.55041889E-07     1.26364656E-08 BP  6.02037809E+01     8.99603084E-08
    -1.32480547E-09     2.69845752E-09    -1.33474322E-10    -1.02016705E-10
    -1.28891577E-11 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  8.32105930E+00    -1.09795677E-02    -5.77775891E-04    -5.73699249E-03
     4.63574920E-03    -1.55208080E-03    -4.66149088E-04     3.26560550E-04
     1.12122820E-05    -5.13949372E-03    -4.28756234E-03    -5.63149572E-03
     3.83982320E-03    -2.84269680E-03     8.85989583E-04    -4.60768509E-05
    -1.93167333E-05 JX  1.01338082E+01    -5.94616066E-02     1.04229206E-02
     1.16252800E-03    -8.50350879E-03     2.23270975E-03    -5.00289260E-05
 Jf  4.09662185E+00    -9.30191257E-04     9.42346051E-04    -1.65604241E-03
    -6.88942837E-04     1.50190937E-03    -5.97589431E-04     9.61625252E-04
    -2.07769802E-03     7.60363635E-04    -1.27392669E-03     1.08492175E-03
    -2.14152166E-04    -8.08614560E-04    -3.64623578E-04     7.55085594E-04
    -1.97151973E-04     1.08844557E-04    -3.51571878E-04     4.58718026E-04
     6.41549294E-04    -3.29606454E-04     2.69010738E-04    -2.89699155E-06
    -2.07143835E-04    -4.98543694E-05     2.17210622E-05    -3.39417142E-03
    -4.11795879E-03     1.72196454E-03     3.75151729E-03    -1.88682368E-03
     1.56984520E-03     4.62859970E-03     3.48560780E-03    -1.25432470E-03
     5.81284168E-04     1.37977333E-03    -1.46140026E-03    -7.06870040E-04
     9.42869435E-04    -5.80563631E-04     4.80736005E-04    -2.21771580E-04
     9.06274175E-04    -1.70311399E-03     1.65478112E-04     3.68743627E-03
    -1.04350684E-03    -5.94631916E-05     5.70845316E-04    -1.90768411E-04
     1.29517593E-05

 Rejected step:
 Variance  :   1.497757E+00 ->   5.720467E+12
 Energy    :  -1.138531E+02 ->  -7.543113E+06

 Current parameters:
 Be  9.87687987E-01    -3.64394563E-03     6.07440750E-02    -7.22550951E-02
    -1.04137209E-01     2.81553047E-01     1.89713222E-01    -8.68088555E-01
     5.33172794E-01     1.51115429E+00     2.00138021E-03    -1.30138844E-02
     2.69262065E-02    -2.09276280E-02    -2.50060428E-03     1.04671082E-02
     2.42718062E-03    -7.01018936E-03     2.01792755E-03 Bm  2.52064812E+00
    -4.68273308E-02    -1.34397849E-01     2.62611023E-01    -1.36868610E-01
     2.25263710E-02    -4.36856061E-02    -1.10455926E-01     2.24744074E-01
    -1.18057442E-01     1.94815598E-02 BP  6.19933852E+00     2.65668010E-05
    -9.87993240E-06    -1.42924518E-05     5.00026635E-06    -6.61054580E-06
     2.56851188E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.57060496E+00     5.26391748E-03     3.99292302E-03    -7.55328116E-03
     5.17170072E-03    -1.00706477E-03    -4.29994350E-04     2.32893743E-04
    -3.02210152E-05     9.81899397E-03     2.44073742E-03    -5.22867830E-03
     4.96605206E-03    -2.61047688E-03     7.66481158E-04    -1.05982474E-04
     4.63677346E-06 JX  3.92087412E+00    -1.67597728E-02     5.06948405E-03
     4.64305267E-03    -6.28059350E-03     2.91872978E-03    -4.61946345E-04
 Jf  3.01639688E+00    -1.23873315E-04     4.07051335E-04    -1.61538390E-03
    -1.42811397E-03     1.35139111E-03    -6.24321780E-04     2.47181628E-04
    -2.27223759E-03     2.27507333E-04    -8.92592076E-04     1.00300735E-03
     3.87344664E-05    -7.95126193E-04    -3.68330759E-04     9.20219421E-04
    -9.68208646E-05     1.04502558E-04    -8.90746833E-05     4.24410668E-04
    -4.26267961E-04    -3.01708808E-04     2.69674542E-04     2.18897078E-05
    -6.97365553E-05    -1.02618469E-05    -1.18847067E-05    -5.30065445E-05
    -3.23374477E-03     2.62444454E-03     3.84128409E-03    -2.62223777E-03
     9.87930731E-04     3.68960257E-03     2.91493188E-03    -8.82479291E-04
    -1.86131587E-04     1.72556709E-03    -1.32393738E-03    -1.12640311E-03
     9.32335126E-04    -1.02391281E-03     3.59493199E-04    -2.62556853E-04
     1.38199365E-03    -1.64067772E-03     4.24248430E-04     3.03951482E-03
    -1.02475659E-03     1.74301083E-07     6.79187287E-04    -1.47139240E-04
     7.07348817E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.497757E+00 ->   1.470757E+00
           Unreweighted mean energy (a.u.)  :  -1.138531E+02 ->  -1.138519E+02


 Writing parameters to correlation.out.2.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 10
 NL2SOL iteration     : 5

 Current parameters:
 Be  9.91263784E-01    -3.69814085E-03     5.97939367E-02    -7.22544535E-02
    -1.03614264E-01     2.75539951E-01     1.84914932E-01    -8.46714723E-01
     5.18108102E-01     1.12766096E+00     2.29310091E-03    -1.74413662E-02
     4.76290704E-02    -5.13092898E-02    -8.55128413E-03     4.58549422E-02
     1.63506416E-02    -4.99643518E-02     2.79360218E-02 Bm  2.29423366E+00
    -5.51669612E-02    -1.77806936E-01     3.82547941E-01    -2.19377101E-01
     3.93985455E-02    -5.06809770E-02    -1.46581988E-01     3.27098715E-01
    -1.89351799E-01     3.40242785E-02 BP  6.08374613E+00     2.80763277E-05
    -1.06413414E-05    -1.54067645E-05     5.52796734E-06    -7.23905794E-06
     2.89844801E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.56365792E+00     5.26634865E-03     3.98918442E-03    -7.56109072E-03
     5.17214695E-03    -1.00603491E-03    -4.30156771E-04     2.32349213E-04
    -3.05953888E-05     9.72114627E-03     2.43108110E-03    -5.24365499E-03
     4.97282750E-03    -2.60470446E-03     7.67814809E-04    -1.06447328E-04
     4.12184054E-06 JX  3.91760142E+00    -1.67381860E-02     5.07174426E-03
     4.64339530E-03    -6.27341443E-03     2.92619724E-03    -4.58811329E-04
 Jf  3.01287589E+00    -1.24002394E-04     4.05432278E-04    -1.61576323E-03
    -1.43573460E-03     1.34980294E-03    -6.24547583E-04     2.46956581E-04
    -2.27300125E-03     2.25534685E-04    -8.91517413E-04     1.00223967E-03
     3.87199973E-05    -7.95806649E-04    -3.68511011E-04     9.20051906E-04
    -9.66452352E-05     1.04652986E-04    -8.87133685E-05     4.24256778E-04
    -4.27065924E-04    -3.01891388E-04     2.69588653E-04     2.19004099E-05
    -6.93918719E-05    -1.01339355E-05    -1.18438036E-05    -4.13561498E-05
    -3.23335147E-03     2.62716543E-03     3.83481479E-03    -2.62454947E-03
     9.86585851E-04     3.68684997E-03     2.91329773E-03    -8.75212400E-04
    -1.87137806E-04     1.72552464E-03    -1.32257539E-03    -1.12756684E-03
     9.32032615E-04    -1.02490308E-03     3.59348342E-04    -2.62474660E-04
     1.38488657E-03    -1.64040632E-03     4.22690086E-04     3.03934882E-03
    -1.02481274E-03     1.80624116E-07     6.79625728E-04    -1.46981034E-04
     7.09484338E-05

 Rejected step:
 Variance  :   1.470757E+00 ->   1.563484E+00
 Energy    :  -1.138519E+02 ->  -1.138553E+02

 Current parameters:
 Be  9.96177052E-01    -3.65389135E-03     6.06994568E-02    -7.10460141E-02
    -1.02838940E-01     2.68504015E-01     1.82400226E-01    -8.13438506E-01
     4.95479620E-01     1.16404231E+00     2.40488631E-03    -1.73284807E-02
     4.43039614E-02    -4.70186440E-02    -7.78313720E-03     3.89679120E-02
     1.31382573E-02    -4.13104476E-02     1.84096230E-02 Bm  2.44711530E+00
    -5.08729860E-02    -1.46031210E-01     2.97191806E-01    -1.58579471E-01
     2.64304924E-02    -4.81026927E-02    -1.18936455E-01     2.54270034E-01
    -1.36900349E-01     2.28589405E-02 BP  6.20506968E+00     2.65109622E-05
    -9.85055749E-06    -1.42669695E-05     4.97410732E-06    -6.57977344E-06
     2.55972319E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.59553492E+00     5.18246057E-03     3.99671594E-03    -7.59244013E-03
     5.18001712E-03    -1.00311435E-03    -4.30821947E-04     2.32107115E-04
    -3.01291579E-05     9.65389815E-03     2.44158693E-03    -5.25323571E-03
     4.95536638E-03    -2.61287023E-03     7.70982914E-04    -1.05656392E-04
     3.96906460E-06 JX  3.92249809E+00    -1.67011106E-02     5.13953950E-03
     4.63045799E-03    -6.31363666E-03     2.92832416E-03    -4.58375661E-04
 Jf  3.01619904E+00    -1.22995684E-04     4.09869101E-04    -1.61415974E-03
    -1.43291734E-03     1.34754236E-03    -6.21394709E-04     2.48816692E-04
    -2.27446970E-03     2.26227029E-04    -8.95407361E-04     1.00377324E-03
     3.82774916E-05    -7.94283697E-04    -3.68527339E-04     9.21370616E-04
    -9.70060760E-05     1.04908992E-04    -8.81321631E-05     4.23600301E-04
    -4.23405736E-04    -3.03283380E-04     2.69592253E-04     2.17336630E-05
    -6.91979093E-05    -1.02608692E-05    -1.20789639E-05    -5.08599437E-05
    -3.22956189E-03     2.62421599E-03     3.84277777E-03    -2.62523563E-03
     9.90512100E-04     3.69252032E-03     2.90954712E-03    -8.79777541E-04
    -1.92025620E-04     1.72640583E-03    -1.32537892E-03    -1.12448386E-03
     9.32086173E-04    -1.02342901E-03     3.59481608E-04    -2.63021888E-04
     1.38034340E-03    -1.64112826E-03     4.28856420E-04     3.04080375E-03
    -1.02502200E-03    -3.41560853E-07     6.79275250E-04    -1.47179152E-04
     7.10106477E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.470757E+00 ->   1.477990E+00
           Unreweighted mean energy (a.u.)  :  -1.138519E+02 ->  -1.138503E+02


 Writing parameters to correlation.out.2.

 Current parameters:
 Be  9.93975475E-01    -3.62261971E-03     5.99742301E-02    -7.10438416E-02
    -1.01800048E-01     2.72537492E-01     1.82664188E-01    -8.30001351E-01
     5.07262121E-01     1.38954567E+00     2.15479413E-03    -1.42010364E-02
     3.15001527E-02    -2.73076345E-02    -3.75511752E-03     1.58605148E-02
     4.14392427E-03    -1.23265248E-02     4.34848917E-03 Bm  2.47856712E+00
    -4.74657256E-02    -1.40952818E-01     2.80941174E-01    -1.48977199E-01
     2.48334715E-02    -4.42474036E-02    -1.15701708E-01     2.40434394E-01
    -1.28521628E-01     2.14618303E-02 BP  6.20070021E+00     2.65516237E-05
    -9.87064481E-06    -1.42811069E-05     4.99494360E-06    -6.60307031E-06
     2.56554473E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.57301175E+00     5.26187325E-03     3.99287385E-03    -7.55887464E-03
     5.17113588E-03    -1.00689263E-03    -4.30023662E-04     2.32823142E-04
    -3.02403270E-05     9.82082753E-03     2.43648274E-03    -5.24086983E-03
     4.96496885E-03    -2.60982015E-03     7.66786634E-04    -1.06128560E-04
     4.46995813E-06 JX  3.91853510E+00    -1.67465199E-02     5.06957259E-03
     4.63837672E-03    -6.27906693E-03     2.92253681E-03    -4.59934791E-04
 Jf  3.01702248E+00    -1.22911518E-04     4.06483018E-04    -1.61488750E-03
    -1.42896580E-03     1.35164344E-03    -6.22990130E-04     2.46317122E-04
    -2.27338151E-03     2.27061780E-04    -8.92937182E-04     1.00308527E-03
     3.87169838E-05    -7.95261448E-04    -3.68395263E-04     9.20070857E-04
    -9.68419215E-05     1.04587510E-04    -8.88764651E-05     4.24469295E-04
    -4.25686490E-04    -3.01947097E-04     2.69612123E-04     2.18365374E-05
    -6.97765122E-05    -1.02748091E-05    -1.18807447E-05    -5.29662700E-05
    -3.23463144E-03     2.62502885E-03     3.83977386E-03    -2.62239499E-03
     9.88584790E-04     3.68955259E-03     2.91519704E-03    -8.82495300E-04
    -1.86699974E-04     1.72561268E-03    -1.32293696E-03    -1.12668109E-03
     9.32179337E-04    -1.02412660E-03     3.59445000E-04    -2.62504633E-04
     1.38157984E-03    -1.64036468E-03     4.24603412E-04     3.03977487E-03
    -1.02483902E-03     8.24069315E-08     6.79171742E-04    -1.47145270E-04
     7.07927599E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.477990E+00 ->   1.467197E+00
           Unreweighted mean energy (a.u.)  :  -1.138503E+02 ->  -1.138516E+02


 Writing parameters to correlation.out.2.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 13
 NL2SOL iteration     : 6

 Current parameters:
 Be  1.00884156E+00    -3.58615608E-03     5.84312644E-02    -6.76564705E-02
    -9.55469212E-02     2.53489437E-01     1.67509581E-01    -7.47909636E-01
     4.50067004E-01     1.32316959E+00     2.19440488E-03    -1.51206164E-02
     3.44680534E-02    -3.17553861E-02    -4.59623040E-03     2.01837510E-02
     5.33561620E-03    -1.77489067E-02     5.93268102E-03 Bm  2.51616862E+00
    -4.61710041E-02    -1.34906207E-01     2.64475036E-01    -1.38160371E-01
     2.27121555E-02    -4.32130159E-02    -1.10562530E-01     2.26418892E-01
    -1.19162277E-01     1.96386346E-02 BP  6.28284269E+00     2.55526276E-05
    -9.36827117E-06    -1.35349756E-05     4.66312189E-06    -6.19152080E-06
     2.35979166E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.57759688E+00     5.28948015E-03     4.00598512E-03    -7.55206826E-03
     5.17072859E-03    -1.00834395E-03    -4.30466608E-04     2.33020662E-04
    -2.99574579E-05     9.91550383E-03     2.44683208E-03    -5.23437206E-03
     4.96003796E-03    -2.61440633E-03     7.65430716E-04    -1.05869603E-04
     4.97510170E-06 JX  3.92385172E+00    -1.67678879E-02     5.07701795E-03
     4.63520261E-03    -6.28293816E-03     2.92138834E-03    -4.59243951E-04
 Jf  3.02085645E+00    -1.22652417E-04     4.07126279E-04    -1.61409301E-03
    -1.42590059E-03     1.35267296E-03    -6.21649941E-04     2.46317115E-04
    -2.27420050E-03     2.29573610E-04    -8.93961723E-04     1.00357925E-03
     3.88392564E-05    -7.95031188E-04    -3.68350855E-04     9.19842742E-04
    -9.70171357E-05     1.04604504E-04    -8.91549503E-05     4.24605503E-04
    -4.25013489E-04    -3.02110244E-04     2.69590757E-04     2.17663967E-05
    -7.01178466E-05    -1.03810878E-05    -1.18751777E-05    -5.92718514E-05
    -3.23612653E-03     2.62364042E-03     3.84192181E-03    -2.62081426E-03
     9.90615139E-04     3.69166553E-03     2.91512362E-03    -8.87328850E-04
    -1.85348480E-04     1.72571725E-03    -1.32325308E-03    -1.12607031E-03
     9.32351089E-04    -1.02373944E-03     3.59538989E-04    -2.62409777E-04
     1.37982657E-03    -1.64034740E-03     4.25655191E-04     3.03973138E-03
    -1.02486017E-03     4.11363295E-08     6.78767669E-04    -1.47262866E-04
     7.06967587E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.467197E+00 ->   1.487772E+00
           Unreweighted mean energy (a.u.)  :  -1.138516E+02 ->  -1.138481E+02


 Writing parameters to correlation.out.2.

 Current parameters:
 Be  9.83953952E-01    -3.98583893E-03     4.15985409E-02     1.12460144E-01
    -5.80699970E-01     6.14561914E-01     5.89369575E-01    -1.57727025E+00
     8.23001386E-01     1.42079517E+00     2.76511616E-03    -2.42283903E-02
     8.99595234E-02    -1.78882866E-01     1.75878099E-01    -3.05278393E-02
    -9.87418895E-02     8.53168676E-02    -2.15327138E-02 Bm  2.78163033E+00
    -2.93590436E-02    -1.92367488E-01     3.38038172E-01    -1.74682828E-01
     2.87852828E-02    -2.60345474E-02    -1.79790547E-01     3.17853833E-01
    -1.64617905E-01     2.71185784E-02 BP  8.08278333E+00     3.19562693E-05
    -1.03043820E-05    -2.67286959E-05     7.91001591E-06    -2.17532965E-06
     8.56136932E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72580535E+00     4.56522574E-03     4.76683852E-03    -1.03490500E-02
     9.34188268E-03    -4.29349237E-03     9.86677363E-04    -8.16962497E-05
    -2.79286487E-06     8.59901394E-03     3.17192148E-03    -9.47895744E-03
     1.32203957E-02    -1.04106987E-02     4.61663379E-03    -1.05787103E-03
     9.69901844E-05 JX  3.90191733E+00    -1.71236274E-02     4.42942587E-03
     6.92487098E-03    -8.72033922E-03     3.93598861E-03    -6.01492729E-04
 Jf  3.01310138E+00    -1.28959613E-04     4.33077500E-04    -1.59862458E-03
    -1.48905043E-03     1.30369190E-03    -5.76757412E-04     2.01925229E-04
    -2.26088724E-03     2.34385362E-04    -8.71969838E-04     9.72700117E-04
     1.26711087E-05    -9.24271461E-04    -3.18334138E-04     1.21226898E-03
    -1.98075230E-04     1.33599455E-04    -1.11193455E-04     4.31984501E-04
    -4.17362489E-04    -2.41167682E-04     2.59019502E-04     1.45596668E-05
    -1.37270995E-04     2.38399613E-05    -2.53280848E-05    -5.37146907E-05
    -3.31755017E-03     2.77773190E-03     4.01158237E-03    -2.82615880E-03
     1.09281928E-03     3.79999655E-03     3.27045916E-03    -8.65598470E-04
    -1.81489019E-04     1.73838189E-03    -1.59680353E-03    -9.18667783E-04
     9.88957079E-04    -1.50443008E-03     4.77189285E-04    -3.20744816E-04
     1.33057189E-03    -1.58219776E-03     3.99112451E-04     3.13372853E-03
    -1.13917108E-03     9.56758120E-06     8.63099938E-04    -1.95490267E-04
     8.98412284E-05

 Rejected step:
 Variance  :   1.487772E+00 ->   2.513615E+00
 Energy    :  -1.138481E+02 ->  -1.138479E+02

 Current parameters:
 Be  9.92970468E-01    -3.62146977E-03     6.01051371E-02    -7.12432132E-02
    -1.02182557E-01     2.73974245E-01     1.83867913E-01    -8.35760618E-01
     5.11576366E-01     1.39254235E+00     2.15881991E-03    -1.41755070E-02
     3.13423308E-02    -2.71684899E-02    -3.76945462E-03     1.56414161E-02
     4.04380737E-03    -1.21833888E-02     4.24002277E-03 Bm  2.48522269E+00
    -4.71488872E-02    -1.39784215E-01     2.77961119E-01    -1.46986728E-01
     2.44391646E-02    -4.39116350E-02    -1.14693928E-01     2.37909420E-01
    -1.26791429E-01     2.11276579E-02 BP  6.20168397E+00     2.65381027E-05
    -9.86491426E-06    -1.42736947E-05     4.99012460E-06    -6.59861359E-06
     2.56271508E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.57336648E+00     5.26440145E-03     3.99405358E-03    -7.55863036E-03
     5.17120563E-03    -1.00685419E-03    -4.29989054E-04     2.32849990E-04
    -3.02242254E-05     9.82530690E-03     2.43789807E-03    -5.24096239E-03
     4.96480381E-03    -2.60989442E-03     7.66783198E-04    -1.06111665E-04
     4.48566972E-06 JX  3.91798297E+00    -1.67410334E-02     5.06977876E-03
     4.63847050E-03    -6.27881971E-03     2.92275922E-03    -4.59854399E-04
 Jf  3.01724596E+00    -1.23338263E-04     4.06395588E-04    -1.61489836E-03
    -1.42889144E-03     1.35168498E-03    -6.22913855E-04     2.46187820E-04
    -2.27332164E-03     2.27079704E-04    -8.92967296E-04     1.00309551E-03
     3.86985593E-05    -7.95262729E-04    -3.68399756E-04     9.20079095E-04
    -9.68429963E-05     1.04589094E-04    -8.88445227E-05     4.24474391E-04
    -4.25626847E-04    -3.01953996E-04     2.69609067E-04     2.18331147E-05
    -6.97800802E-05    -1.02768164E-05    -1.18817890E-05    -5.35156696E-05
    -3.23474232E-03     2.62498127E-03     3.83980638E-03    -2.62236483E-03
     9.88635608E-04     3.68946497E-03     2.91530350E-03    -8.82670385E-04
    -1.86704191E-04     1.72561792E-03    -1.32293964E-03    -1.12667639E-03
     9.32173683E-04    -1.02410825E-03     3.59446622E-04    -2.62503953E-04
     1.38157038E-03    -1.64035588E-03     4.24666465E-04     3.03978770E-03
    -1.02484268E-03     7.80170065E-08     6.79167777E-04    -1.47147793E-04
     7.07907861E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.487772E+00 ->   1.466657E+00
           Unreweighted mean energy (a.u.)  :  -1.138481E+02 ->  -1.138510E+02


 Writing parameters to correlation.out.2.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 16
 NL2SOL iteration     : 7

 Current parameters:
 Be  9.87088764E-01    -3.62872048E-03     6.07909686E-02    -7.25740763E-02
    -1.04705116E-01     2.82173711E-01     1.90521428E-01    -8.71176155E-01
     5.36698079E-01     1.41127255E+00     2.16586914E-03    -1.39600996E-02
     3.05411579E-02    -2.60968756E-02    -3.58377835E-03     1.46191003E-02
     3.72948638E-03    -1.10861525E-02     3.83065938E-03 Bm  2.48845189E+00
    -4.69318955E-02    -1.39178638E-01     2.76548050E-01    -1.46027316E-01
     2.42514483E-02    -4.38428089E-02    -1.14210158E-01     2.36706985E-01
    -1.25953702E-01     2.09733189E-02 BP  6.20078666E+00     2.65511566E-05
    -9.87004516E-06    -1.42804978E-05     4.99437018E-06    -6.60268736E-06
     2.56524589E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.57331132E+00     5.26192096E-03     3.99342878E-03    -7.55927324E-03
     5.17094163E-03    -1.00700556E-03    -4.30069817E-04     2.32820955E-04
    -3.02285626E-05     9.82369800E-03     2.43654324E-03    -5.24139014E-03
     4.96484934E-03    -2.60989628E-03     7.66746413E-04    -1.06151769E-04
     4.46548984E-06 JX  3.91792587E+00    -1.67421458E-02     5.06891431E-03
     4.63727445E-03    -6.27959163E-03     2.92235026E-03    -4.59955144E-04
 Jf  3.01706617E+00    -1.23115722E-04     4.06351102E-04    -1.61490850E-03
    -1.42907256E-03     1.35162428E-03    -6.22970705E-04     2.46211927E-04
    -2.27337614E-03     2.26813127E-04    -8.93061187E-04     1.00307294E-03
     3.87069126E-05    -7.95246746E-04    -3.68393992E-04     9.20085670E-04
    -9.68408071E-05     1.04590714E-04    -8.89420222E-05     4.24461676E-04
    -4.25645576E-04    -3.01914720E-04     2.69615721E-04     2.18385865E-05
    -6.97687178E-05    -1.02734824E-05    -1.18795161E-05    -5.34499421E-05
    -3.23486875E-03     2.62494569E-03     3.83951136E-03    -2.62249318E-03
     9.88456512E-04     3.68960843E-03     2.91542995E-03    -8.82825392E-04
    -1.86910727E-04     1.72554110E-03    -1.32284435E-03    -1.12671188E-03
     9.32161389E-04    -1.02413881E-03     3.59437991E-04    -2.62513620E-04
     1.38125090E-03    -1.64036963E-03     4.24579376E-04     3.03984235E-03
    -1.02484519E-03     7.73638270E-08     6.79173277E-04    -1.47145403E-04
     7.07968430E-05

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 7
 Function evaluations : 23
 Variance reduced to  : 0.14666572E+01

 Writing parameters to correlation.out.2.


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 3
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m13s remaining]
  DTVMC #1:   1.4523E-01 (optimized)
  DTVMC #2:   1.1648E-01 (optimized)
 Done. [total CPU time: 5m9s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.8620
 Acceptance ratio #2 <level 1>        (%)  =  51.7297
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2566
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0300
 Diffusion constant #1           (Bohr^2)  = 1.1347E-02
 Diffusion constant #2           (Bohr^2)  = 9.3858E-03
 Correlation time                 (steps)  = 3.9397E+00 +- 5.0957E-01
 Efficiency                  (au^-2 s^-1)  = 1.8387E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.844306352388
  Standard error                        +/-           0.016333080696

  Kinetic energy KEI (used in Total) (au) =         120.203733566722
  Standard error                        +/-           0.841441626532

  Kinetic energy TI                  (au) =         116.607740289792
  Standard error                        +/-           0.470816557735

  Kinetic energy FISQ                (au) =         113.011747012863
  Standard error                        +/-           0.475548162382

  Potential energy                   (au) =        -275.939626400950
  Standard error                        +/-           0.839763817194

  e-e interaction                    (au) =          78.603626062314
  Standard error                        +/-           0.108574127985

  e-n interaction                    (au) =        -354.543252463265
  Standard error                        +/-           0.887231841213

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.382686615376
  Standard error                        +/-           0.127269182449

  Maximum distance from origin       (au) =           7.666156151593

  Particles affected per move       (%) :  99.9994


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.9649
 Acceptance ratio #2 <level 1>        (%)  =  51.7759
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3894
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1485
 Diffusion constant #1           (Bohr^2)  = 1.1358E-02
 Diffusion constant #2           (Bohr^2)  = 8.9603E-03
 Correlation time                 (steps)  = 3.9783E+00 +- 4.6081E-01
 Efficiency                  (au^-2 s^-1)  = 1.5613E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.841427266444
  Standard error                        +/-           0.017889195980

  Kinetic energy KEI (used in Total) (au) =         114.230035329577
  Standard error                        +/-           1.233044211298

  Kinetic energy TI                  (au) =         114.629727241632
  Standard error                        +/-           0.797265324133

  Kinetic energy FISQ                (au) =         115.029419153687
  Standard error                        +/-           1.029867017987

  Potential energy                   (au) =        -269.963049077861
  Standard error                        +/-           1.236669194216

  e-e interaction                    (au) =          77.655986144114
  Standard error                        +/-           0.106057006758

  e-n interaction                    (au) =        -347.619035221976
  Standard error                        +/-           1.227150857112

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.343813833138
  Standard error                        +/-           0.069359672090

  Maximum distance from origin       (au) =           7.386845758548

  Particles affected per move       (%) :  99.9998


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.7083
 Acceptance ratio #2 <level 1>        (%)  =  51.9144
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0938
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2459
 Diffusion constant #1           (Bohr^2)  = 1.1092E-02
 Diffusion constant #2           (Bohr^2)  = 8.9449E-03
 Correlation time                 (steps)  = 4.1930E+00 +- 5.3141E-01
 Efficiency                  (au^-2 s^-1)  = 1.5236E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.846895660697
  Standard error                        +/-           0.018369376269

  Kinetic energy KEI (used in Total) (au) =         107.240726598601
  Standard error                        +/-           0.728876172909

  Kinetic energy TI                  (au) =         110.240993840261
  Standard error                        +/-           0.468636802549

  Kinetic energy FISQ                (au) =         113.241261081921
  Standard error                        +/-           0.639778171588

  Potential energy                   (au) =        -262.979208741138
  Standard error                        +/-           0.728753991066

  e-e interaction                    (au) =          78.173756614361
  Standard error                        +/-           0.085617892502

  e-n interaction                    (au) =        -341.152965355499
  Standard error                        +/-           0.736003726648

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.567877327975
  Standard error                        +/-           0.224287306039

  Maximum distance from origin       (au) =           7.745029190860

  Particles affected per move       (%) :  99.9995


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.7622
 Acceptance ratio #2 <level 1>        (%)  =  51.9681
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1268
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.3320
 Diffusion constant #1           (Bohr^2)  = 1.1451E-02
 Diffusion constant #2           (Bohr^2)  = 8.8836E-03
 Correlation time                 (steps)  = 3.7706E+00 +- 4.1565E-01
 Efficiency                  (au^-2 s^-1)  = 1.2736E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.836756449293
  Standard error                        +/-           0.019045506256

  Kinetic energy KEI (used in Total) (au) =         108.482572817463
  Standard error                        +/-           0.926242597486

  Kinetic energy TI                  (au) =         111.034080149738
  Standard error                        +/-           0.535604055621

  Kinetic energy FISQ                (au) =         113.585587482013
  Standard error                        +/-           0.526723472284

  Potential energy                   (au) =        -264.210915748597
  Standard error                        +/-           0.927415546466

  e-e interaction                    (au) =          77.746672803227
  Standard error                        +/-           0.094399846401

  e-n interaction                    (au) =        -341.957588551823
  Standard error                        +/-           0.972294236851

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.738097327367
  Standard error                        +/-           0.257347807654

  Maximum distance from origin       (au) =           8.453814767741

  Particles affected per move       (%) :  99.9998


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.7392
 Acceptance ratio #2 <level 1>        (%)  =  51.2505
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1058
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.5732
 Diffusion constant #1           (Bohr^2)  = 1.1420E-02
 Diffusion constant #2           (Bohr^2)  = 9.1621E-03
 Correlation time                 (steps)  = 4.0308E+00 +- 5.2954E-01
 Efficiency                  (au^-2 s^-1)  = 9.9004E+01
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.877288232132
  Standard error                        +/-           0.023854691119

  Kinetic energy KEI (used in Total) (au) =         108.575408772859
  Standard error                        +/-           1.115745634233

  Kinetic energy TI                  (au) =         111.458162729046
  Standard error                        +/-           0.740400974087

  Kinetic energy FISQ                (au) =         114.340916685232
  Standard error                        +/-           1.068347799968

  Potential energy                   (au) =        -264.344283486831
  Standard error                        +/-           1.112222578662

  e-e interaction                    (au) =          78.780716918826
  Standard error                        +/-           0.102214324808

  e-n interaction                    (au) =        -343.125000405658
  Standard error                        +/-           1.169506371165

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.509853076409
  Standard error                        +/-           1.148979122362

  Maximum distance from origin       (au) =           9.017021696969

  Particles affected per move       (%) :  99.9958


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.6593
 Acceptance ratio #2 <level 1>        (%)  =  51.6399
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0619
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9875
 Diffusion constant #1           (Bohr^2)  = 1.1074E-02
 Diffusion constant #2           (Bohr^2)  = 9.0859E-03
 Correlation time                 (steps)  = 4.2513E+00 +- 5.4896E-01
 Efficiency                  (au^-2 s^-1)  = 1.8050E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.837164812358
  Standard error                        +/-           0.015593345765

  Kinetic energy KEI (used in Total) (au) =         104.218140082282
  Standard error                        +/-           0.820839871632

  Kinetic energy TI                  (au) =         108.194812315377
  Standard error                        +/-           0.437239960837

  Kinetic energy FISQ                (au) =         112.171484548472
  Standard error                        +/-           0.336624803731

  Potential energy                   (au) =        -259.946891376481
  Standard error                        +/-           0.822016745641

  e-e interaction                    (au) =          78.204403571518
  Standard error                        +/-           0.103493032830

  e-n interaction                    (au) =        -338.151294947998
  Standard error                        +/-           0.850932543418

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.305252199793
  Standard error                        +/-           0.070765631956

  Maximum distance from origin       (au) =           7.521811094640

  Particles affected per move       (%) :  99.9998


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.8071
 Acceptance ratio #2 <level 1>        (%)  =  51.8570
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1587
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1984
 Diffusion constant #1           (Bohr^2)  = 1.1273E-02
 Diffusion constant #2           (Bohr^2)  = 9.1751E-03
 Correlation time                 (steps)  = 3.8384E+00 +- 4.9266E-01
 Efficiency                  (au^-2 s^-1)  = 1.2443E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.845657708440
  Standard error                        +/-           0.019891697029

  Kinetic energy KEI (used in Total) (au) =         112.684667762066
  Standard error                        +/-           1.057649273908

  Kinetic energy TI                  (au) =         113.226957426066
  Standard error                        +/-           0.693245840003

  Kinetic energy FISQ                (au) =         113.769247090066
  Standard error                        +/-           0.814299709823

  Potential energy                   (au) =        -268.421911952347
  Standard error                        +/-           1.059116860753

  e-e interaction                    (au) =          78.134541474913
  Standard error                        +/-           0.099782243765

  e-n interaction                    (au) =        -346.556453427260
  Standard error                        +/-           1.075357320689

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.747573731484
  Standard error                        +/-           0.170464308565

  Maximum distance from origin       (au) =           7.465179115230

  Particles affected per move       (%) :  99.9997


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.6933
 Acceptance ratio #2 <level 1>        (%)  =  51.8545
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0729
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2296
 Diffusion constant #1           (Bohr^2)  = 1.1130E-02
 Diffusion constant #2           (Bohr^2)  = 9.1036E-03
 Correlation time                 (steps)  = 3.5456E+00 +- 3.7600E-01
 Efficiency                  (au^-2 s^-1)  = 1.6118E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.838574865603
  Standard error                        +/-           0.017783251225

  Kinetic energy KEI (used in Total) (au) =         115.021335485346
  Standard error                        +/-           0.960483441844

  Kinetic energy TI                  (au) =         114.420133527730
  Standard error                        +/-           0.617649742949

  Kinetic energy FISQ                (au) =         113.818931570114
  Standard error                        +/-           0.791852100177

  Potential energy                   (au) =        -270.751496832789
  Standard error                        +/-           0.963237430788

  e-e interaction                    (au) =          78.251090680940
  Standard error                        +/-           0.098566366343

  e-n interaction                    (au) =        -349.002587513730
  Standard error                        +/-           0.998814190321

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.752677489151
  Standard error                        +/-           0.149391831435

  Maximum distance from origin       (au) =           8.321110283572

  Particles affected per move       (%) :  99.9714


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.6793
 Acceptance ratio #2 <level 1>        (%)  =  51.8520
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9960
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2122
 Diffusion constant #1           (Bohr^2)  = 1.0876E-02
 Diffusion constant #2           (Bohr^2)  = 8.9880E-03
 Correlation time                 (steps)  = 4.2495E+00 +- 5.0880E-01
 Efficiency                  (au^-2 s^-1)  = 1.0653E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.796526544333
  Standard error                        +/-           0.022277304646

  Kinetic energy KEI (used in Total) (au) =         112.469187187217
  Standard error                        +/-           1.200878349327

  Kinetic energy TI                  (au) =         112.426506324677
  Standard error                        +/-           0.653201542476

  Kinetic energy FISQ                (au) =         112.383825462137
  Standard error                        +/-           0.575145824092

  Potential energy                   (au) =        -268.157300213391
  Standard error                        +/-           1.196813584332

  e-e interaction                    (au) =          78.496753275705
  Standard error                        +/-           0.109210530542

  e-n interaction                    (au) =        -346.654053489096
  Standard error                        +/-           1.236172853997

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.212493327130
  Standard error                        +/-           0.487542018155

  Maximum distance from origin       (au) =           8.454568257498

  Particles affected per move       (%) :  99.9903


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.3379
 Acceptance ratio #2 <level 1>        (%)  =  51.4589
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7804
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8428
 Diffusion constant #1           (Bohr^2)  = 1.1046E-02
 Diffusion constant #2           (Bohr^2)  = 8.5809E-03
 Correlation time                 (steps)  = 4.0029E+00 +- 4.7666E-01
 Efficiency                  (au^-2 s^-1)  = 1.8862E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.817861215981
  Standard error                        +/-           0.016748876425

  Kinetic energy KEI (used in Total) (au) =         123.717686563192
  Standard error                        +/-           1.064994939229

  Kinetic energy TI                  (au) =         118.889257052924
  Standard error                        +/-           0.622593596169

  Kinetic energy FISQ                (au) =         114.060827542657
  Standard error                        +/-           0.572412000330

  Potential energy                   (au) =        -279.427134261013
  Standard error                        +/-           1.068480585668

  e-e interaction                    (au) =          78.695474963920
  Standard error                        +/-           0.123221104976

  e-n interaction                    (au) =        -358.122609224933
  Standard error                        +/-           1.119963488477

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.105491252829
  Standard error                        +/-           0.030692315511

  Maximum distance from origin       (au) =           8.680525883368

  Particles affected per move       (%) :  99.9918


 Time taken in block    : : :        6.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.838245910767 +/- 0.005989999783      No correction
 -113.838245910767 +/- 0.011950024152      Correlation time method
 -113.838245910767 +/- 0.010005088509      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.838245910767 +/-       0.010005088509
    stderr:      0.010005088509 +/-       0.001022138740
    errfac:      1.669858512749 +/-       0.170595899771
    N_corr:      2.788427452599 +/-       0.569742030945
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.991579E-03   7.573968E-05
            2   7.002098E-03   1.251973E-04
            4   8.425842E-03   2.131247E-04
            8   9.954990E-03   3.563316E-04
           16   1.150130E-02   5.829516E-04
           32   1.114390E-02   8.008601E-04
           64   1.000509E-02   1.022139E-03  *** BEST ***
          128   1.158148E-02   1.691020E-03
          256   1.232510E-02   2.601070E-03
          512   1.126536E-02   3.522736E-03
         1024   1.504055E-02   7.415999E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.666581618065 +- 0.136141771024

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ==================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 3
 ==================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  9.92970468E-01    -3.62146977E-03     6.01051371E-02    -7.12432132E-02
    -1.02182557E-01     2.73974245E-01     1.83867913E-01    -8.35760618E-01
     5.11576366E-01     1.39254235E+00     2.15881991E-03    -1.41755070E-02
     3.13423308E-02    -2.71684899E-02    -3.76945462E-03     1.56414161E-02
     4.04380737E-03    -1.21833888E-02     4.24002277E-03 Bm  2.48522269E+00
    -4.71488872E-02    -1.39784215E-01     2.77961119E-01    -1.46986728E-01
     2.44391646E-02    -4.39116350E-02    -1.14693928E-01     2.37909420E-01
    -1.26791429E-01     2.11276579E-02 BP  6.20168397E+00     2.65381027E-05
    -9.86491426E-06    -1.42736947E-05     4.99012460E-06    -6.59861359E-06
     2.56271508E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.57336648E+00     5.26440145E-03     3.99405358E-03    -7.55863036E-03
     5.17120563E-03    -1.00685419E-03    -4.29989054E-04     2.32849990E-04
    -3.02242254E-05     9.82530690E-03     2.43789807E-03    -5.24096239E-03
     4.96480381E-03    -2.60989442E-03     7.66783198E-04    -1.06111665E-04
     4.48566972E-06 JX  3.91798297E+00    -1.67410334E-02     5.06977876E-03
     4.63847050E-03    -6.27881971E-03     2.92275922E-03    -4.59854399E-04
 Jf  3.01724596E+00    -1.23338263E-04     4.06395588E-04    -1.61489836E-03
    -1.42889144E-03     1.35168498E-03    -6.22913855E-04     2.46187820E-04
    -2.27332164E-03     2.27079704E-04    -8.92967296E-04     1.00309551E-03
     3.86985593E-05    -7.95262729E-04    -3.68399756E-04     9.20079095E-04
    -9.68429963E-05     1.04589094E-04    -8.88445227E-05     4.24474391E-04
    -4.25626847E-04    -3.01953996E-04     2.69609067E-04     2.18331147E-05
    -6.97800802E-05    -1.02768164E-05    -1.18817890E-05    -5.35156696E-05
    -3.23474232E-03     2.62498127E-03     3.83980638E-03    -2.62236483E-03
     9.88635608E-04     3.68946497E-03     2.91530350E-03    -8.82670385E-04
    -1.86704191E-04     1.72561792E-03    -1.32293964E-03    -1.12667639E-03
     9.32173683E-04    -1.02410825E-03     3.59446622E-04    -2.62503953E-04
     1.38157038E-03    -1.64035588E-03     4.24666465E-04     3.03978770E-03
    -1.02484268E-03     7.80170065E-08     6.79167777E-04    -1.47147793E-04
     7.07907861E-05

    Unreweighted variance of energy (a.u.)  :   1.618684E+00
           Unreweighted mean energy (a.u.)  :  -1.138341E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.30231820E-01    -5.07352468E-03     2.68435678E-01    -7.58197258E-01
    -5.16153957E-02     2.78300811E+00    -3.72611651E+00     1.63018554E+00
    -1.74594094E-01     1.53257608E+00     2.23141010E-03    -1.15372723E-02
     2.82202789E-02    -7.40365901E-02     1.28294438E-01    -7.03410540E-02
    -5.49840165E-02     7.34202606E-02    -2.11225030E-02 Bm  2.67624223E+00
    -6.56623518E-02    -1.33820162E-01     3.02259971E-01    -1.67715138E-01
     2.88936845E-02    -6.40599913E-02    -1.00287002E-01     2.42659426E-01
    -1.32997746E-01     2.24105611E-02 BP  5.95669724E+00     3.04336993E-05
    -1.13518480E-05    -3.77812319E-05     1.38950349E-05    -1.28728929E-06
     5.85762206E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.61876220E+00     5.60568800E-03     4.21872051E-03    -1.14584644E-02
     1.32644193E-02    -8.59334442E-03     3.25137463E-03    -6.63916172E-04
     5.63942312E-05     9.71196813E-03     3.84758826E-03    -9.25167404E-03
     1.11284770E-02    -8.25788186E-03     3.65363950E-03    -8.56703640E-04
     8.20184726E-05 JX  3.81011439E+00    -1.94957440E-02     5.37157706E-03
     7.97672075E-03    -1.01408267E-02     4.53279964E-03    -6.88564439E-04
 Jf  3.02362127E+00    -1.08879244E-04     2.11433590E-04    -9.94749040E-04
    -1.47937519E-03     8.92472573E-04    -3.93862428E-04     2.95069984E-04
    -1.26322683E-03     1.41656849E-04    -7.54174251E-04     1.07651363E-03
    -5.97037293E-04    -1.00124521E-03    -3.46353548E-05     1.07756420E-03
    -2.51433114E-04     1.16821285E-04    -1.13929934E-04     4.02230056E-04
    -4.85467584E-04     4.03176660E-04    -8.89140017E-05     3.34022315E-05
     1.61868834E-04    -2.77837679E-05    -5.53172302E-06    -7.49383212E-05
    -3.14626133E-03     2.68950242E-03     3.41117680E-03    -2.46289411E-03
     9.14467661E-04     3.77068969E-03     3.42365461E-03    -7.90250361E-04
    -2.72234585E-04     1.71338865E-03    -1.52469989E-03    -7.13673992E-04
     1.01775583E-03    -1.72362130E-03     4.24433600E-04    -2.63160218E-04
     1.30213024E-03    -1.58351232E-03     4.67804862E-04     3.05667132E-03
    -1.15371317E-03    -1.06538315E-06     8.21704856E-04    -1.46688430E-04
     5.95181434E-05

 Rejected step:
 Variance  :   1.618684E+00 ->   1.656574E+00
 Energy    :  -1.138341E+02 ->  -1.138366E+02

 Current parameters:
 Be  9.29870900E-01    -4.26993376E-03     1.97452454E-01    -4.78275592E-01
    -1.29372221E-01     1.13024004E+00     1.46142561E-01    -1.88648370E+00
     9.91595552E-01     1.53076876E+00     2.09044175E-03    -7.87819717E-03
     2.53646927E-03     2.70842794E-03     2.41396776E-02    -2.81971241E-02
    -1.35044808E-02     2.64643759E-02    -8.18400994E-03 Bm  2.63097076E+00
    -6.92871436E-02    -1.22289450E-01     2.89071267E-01    -1.62040062E-01
     2.81145107E-02    -6.67001648E-02    -9.07435077E-02     2.31110775E-01
    -1.27677509E-01     2.16006585E-02 BP  5.90581360E+00     2.91496218E-05
    -1.07970907E-05    -2.07137001E-05     6.96908553E-06    -7.31386083E-06
     3.01581667E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.74009249E+00     5.04759917E-03     2.55252881E-03    -5.93056505E-03
     5.22607023E-03    -2.29264944E-03     4.94920151E-04    -3.29576707E-05
    -2.81947402E-06     8.70420125E-03     3.21904184E-03    -6.97226117E-03
     7.31957206E-03    -4.85015528E-03     1.99236568E-03    -4.41603354E-04
     4.00077477E-05 JX  3.81460065E+00    -1.94268993E-02     5.45872733E-03
     7.53637868E-03    -9.64824550E-03     4.33283784E-03    -6.61071187E-04
 Jf  3.02138022E+00    -1.11071798E-04     2.78188002E-04    -1.16006870E-03
    -1.45858314E-03     9.93738728E-04    -4.39132249E-04     2.07921570E-04
    -1.62876436E-03     1.56490640E-04    -7.51125544E-04     9.97110298E-04
    -4.89508093E-04    -9.68325100E-04    -1.57649484E-04     1.23662285E-03
    -2.49994014E-04     1.22847272E-04    -1.49202357E-04     4.72107782E-04
    -5.03685886E-04     1.48090046E-04     5.06618989E-05     3.07099115E-05
     3.97979058E-05    -1.22575483E-05    -9.00072140E-06    -7.59782440E-05
    -3.15241824E-03     2.64461178E-03     3.46634942E-03    -2.44421423E-03
     9.02512630E-04     3.77123790E-03     3.24832625E-03    -8.00938591E-04
    -2.76991962E-04     1.73685664E-03    -1.42603730E-03    -8.78116444E-04
     1.01381058E-03    -1.43241515E-03     3.66362200E-04    -2.44633503E-04
     1.33060517E-03    -1.62647846E-03     4.84531129E-04     3.09039425E-03
    -1.12801006E-03    -4.90240831E-06     7.44474730E-04    -1.26486116E-04
     5.31298447E-05

 Rejected step:
 Variance  :   1.618684E+00 ->   1.620679E+00
 Energy    :  -1.138341E+02 ->  -1.138343E+02

 Current parameters:
 Be  9.26582198E-01    -3.69960137E-03     1.53478194E-01    -3.24818948E-01
    -2.15097217E-01     8.03142358E-01     5.57820440E-01    -1.82140523E+00
     8.03660712E-01     1.53369136E+00     2.30404293E-03    -9.90840108E-03
     7.76205090E-03     3.64651586E-03     5.53100521E-03    -1.18252175E-02
    -3.81628700E-03     8.94584519E-03    -2.42125412E-03 Bm  2.57073382E+00
    -7.41630795E-02    -1.03443816E-01     2.64070738E-01    -1.49616544E-01
     2.60812971E-02    -6.93206761E-02    -7.87735760E-02     2.14286895E-01
    -1.18944234E-01     2.01051296E-02 BP  5.93287775E+00     2.96460040E-05
    -1.10202576E-05    -1.90652747E-05     6.32602609E-06    -8.21787689E-06
     3.38217622E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.73807235E+00     5.00910915E-03     2.41120187E-03    -5.13464406E-03
     3.86315215E-03    -1.05579006E-03    -1.23663814E-04     1.24850783E-04
    -1.87743578E-05     8.70436273E-03     3.02570804E-03    -6.04243519E-03
     5.55128427E-03    -3.15039485E-03     1.12489534E-03    -2.18477071E-04
     1.72721365E-05 JX  3.82356903E+00    -1.92883586E-02     5.58857756E-03
     6.69016346E-03    -8.65300849E-03     3.91526059E-03    -6.02494389E-04
 Jf  3.02013485E+00    -1.13230950E-04     3.13771383E-04    -1.31751383E-03
    -1.38748723E-03     1.08877819E-03    -4.85580945E-04     1.82689438E-04
    -1.96703824E-03     1.73994115E-04    -7.64154867E-04     9.45152404E-04
    -4.20898126E-04    -8.30349523E-04    -3.04685494E-04     1.19648803E-03
    -1.89178068E-04     1.10135094E-04    -1.80633661E-04     5.48300984E-04
    -5.31469398E-04    -1.36916432E-04     1.85802984E-04     3.26371088E-05
    -3.36086525E-05    -1.57740727E-05    -5.42372635E-06    -7.68334988E-05
    -3.15788719E-03     2.58173278E-03     3.56374783E-03    -2.43406510E-03
     8.98756611E-04     3.77977831E-03     3.03024093E-03    -8.05356498E-04
    -2.85207181E-04     1.75287369E-03    -1.35405935E-03    -9.63525412E-04
     9.72168917E-04    -1.23733838E-03     3.50948973E-04    -2.42819334E-04
     1.34476294E-03    -1.63864912E-03     4.84930958E-04     3.05549021E-03
    -1.08191018E-03    -5.46291157E-06     6.81503991E-04    -1.18626462E-04
     5.26604434E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.618684E+00 ->   1.594584E+00
           Unreweighted mean energy (a.u.)  :  -1.138341E+02 ->  -1.138341E+02


 Writing parameters to correlation.out.3.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.30369769E-01    -4.38516386E-03     2.01920403E-01    -4.51583540E-01
    -2.37163027E-01     1.15898389E+00     5.83507840E-01    -2.78933108E+00
     1.56033037E+00     1.57235051E+00     2.18414520E-03    -8.49801654E-03
    -1.36515657E-03     2.47393092E-02    -4.04167002E-03    -2.73715627E-02
     1.93040797E-03     2.10100420E-02    -8.64864132E-03 Bm  2.38474305E+00
    -7.27336182E-02    -1.45294186E-01     3.11467836E-01    -1.61301420E-01
     2.49561755E-02    -6.84507366E-02    -1.22321681E-01     2.74498126E-01
    -1.43361052E-01     2.25887515E-02 BP  6.05211080E+00     2.77927282E-05
    -1.03553033E-05    -1.62522121E-05     5.47571454E-06    -6.43517087E-06
     2.61459243E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.65710013E+00     5.47448410E-03     2.57020917E-03    -5.41406174E-03
     4.00351887E-03    -1.18767560E-03     2.45459606E-05     6.05702543E-05
    -9.14316769E-06     9.38156870E-03     3.20663259E-03    -6.57625945E-03
     6.33252535E-03    -3.81289026E-03     1.46219943E-03    -3.10586427E-04
     2.77986644E-05 JX  3.77363857E+00    -2.05257883E-02     5.36506489E-03
     8.83412886E-03    -1.14374689E-02     5.22492007E-03    -8.14047979E-04
 Jf  3.00460365E+00    -1.18306882E-04     3.46818667E-04    -1.17728619E-03
    -1.64298144E-03     1.05743381E-03    -4.76360862E-04     1.08346633E-04
    -1.57821571E-03     1.40761656E-04    -7.45486065E-04     9.03431556E-04
    -4.32039965E-04    -9.25898856E-04    -1.71779182E-04     1.17046006E-03
    -2.34485886E-04     1.22717605E-04    -1.40107302E-04     4.94707098E-04
    -4.99927370E-04     4.35115124E-05     1.01826475E-04     2.53414477E-05
     1.31783268E-05    -9.83189183E-06    -9.65865914E-06    -7.90745772E-05
    -3.26310129E-03     2.71247479E-03     3.67679431E-03    -2.55316625E-03
     9.42784959E-04     3.87281996E-03     3.27603699E-03    -8.35104699E-04
    -2.66077296E-04     1.71964088E-03    -1.41411841E-03    -9.40469992E-04
     1.03317049E-03    -1.36695873E-03     3.64071792E-04    -2.48692287E-04
     1.38001132E-03    -1.67592209E-03     5.17687026E-04     3.12208581E-03
    -1.11415945E-03    -1.20243453E-05     6.99865765E-04    -1.15908429E-04
     5.11505634E-05

 Rejected step:
 Variance  :   1.594584E+00 ->   1.603388E+00
 Energy    :  -1.138341E+02 ->  -1.138298E+02

 Current parameters:
 Be  9.89113312E-01    -1.43816950E-02     2.16325691E-01    -1.77494548E-01
    -1.62133000E-01     4.18818242E-01     8.52128798E-02    -1.30852496E+00
     9.73450965E-01     1.07184290E+00    -5.47284257E-04     8.08983686E-04
     1.12920600E-02    -2.45679597E-02     2.51177851E-03    -4.18386070E-02
     2.94135705E-02     1.43690359E-01    -1.20471405E-01 Bm  2.99457361E+00
    -4.49210601E-02    -7.40957903E-02     1.41256886E-01    -6.91586104E-02
     1.13651040E-02    -2.83696049E-02    -6.17634511E-02     1.12564140E-01
    -5.54266436E-02     8.92740168E-03 BP  6.17974705E-01     3.30947725E-02
    -4.75073430E-02    -2.37637845E-01     4.83769800E-01    -1.12453963E+00
     1.85427787E+00 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.97443895E+00     3.87307934E-03     3.17490000E-03    -6.61384789E-03
     3.97711270E-03    -9.17778613E-04    -1.36753104E-04     1.05421176E-04
    -1.22137740E-05     7.01044600E-03     8.59716948E-04    -5.03305320E-03
     5.83127058E-03    -3.23518756E-03     1.06510817E-03    -2.23524810E-04
     2.37493597E-05 JX  4.13611297E+00    -8.94076207E-03     2.12216589E-03
     7.97737165E-03    -7.95302157E-03     4.06778930E-03    -7.85802765E-04
 Jf  3.16246630E+00    -4.05360758E-05     4.49310556E-04    -1.36818325E-03
    -1.28375062E-03     1.11152508E-03    -3.86733172E-04     3.35659766E-04
    -2.26578160E-03     2.63871588E-04    -8.15726871E-04     8.10168307E-04
    -3.23080934E-04    -8.91664051E-04    -3.11678171E-04     1.12416952E-03
    -1.58072126E-04     1.17349278E-04    -1.86845775E-04     5.48803794E-04
    -4.18655215E-04    -1.17681283E-04     1.74018286E-04     3.34775411E-05
    -2.97173109E-05    -8.08501279E-06    -1.56607288E-05     6.96425515E-05
    -3.01487280E-03     2.51491664E-03     3.91733764E-03    -2.54746270E-03
     9.64309846E-04     3.54178041E-03     3.27183851E-03    -7.61947827E-04
    -1.02003994E-04     1.70957354E-03    -1.27884204E-03    -9.95058218E-04
     9.73555686E-04    -1.30825468E-03     3.25533473E-04    -2.23567968E-04
     1.27044544E-03    -1.64730300E-03     3.98883358E-04     3.14781491E-03
    -1.06906816E-03     6.15275749E-06     6.64571755E-04    -1.26592744E-04
     6.18880164E-05

 Rejected step:
 Variance  :   1.594584E+00 ->   4.440634E+02
 Energy    :  -1.138341E+02 ->  -1.141479E+02

 Current parameters:
 Be  9.30652037E-01    -3.81965933E-03     1.58031643E-01    -3.19523137E-01
    -2.11840046E-01     7.75484863E-01     4.96986473E-01    -1.82566929E+00
     9.33952972E-01     1.52938732E+00     2.26629367E-03    -1.03542786E-02
     9.55038050E-03     3.42243246E-03     3.31152670E-03    -1.28010129E-02
    -2.48524162E-03     1.05812726E-02    -3.44247533E-03 Bm  2.47766601E+00
    -7.90688047E-02    -1.24500574E-01     3.12767137E-01    -1.76970739E-01
     3.05215699E-02    -7.43904359E-02    -9.25671025E-02     2.52133009E-01
    -1.41677487E-01     2.40717903E-02 BP  6.02200830E+00     2.82274604E-05
    -1.04861190E-05    -1.76622027E-05     5.89925569E-06    -7.57342536E-06
     3.07414817E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67791765E+00     5.31860047E-03     2.56415309E-03    -5.35166150E-03
     3.92400375E-03    -1.01143253E-03    -1.30901665E-04     1.14762369E-04
    -1.57564079E-05     9.20665995E-03     3.05801961E-03    -6.11100726E-03
     5.61814550E-03    -3.15181144E-03     1.12230759E-03    -2.22695767E-04
     1.88421157E-05 JX  3.80631485E+00    -1.99153563E-02     5.73886440E-03
     6.87780133E-03    -8.96898419E-03     4.08925267E-03    -6.39362206E-04
 Jf  3.01680987E+00    -1.17244328E-04     3.32063292E-04    -1.31276052E-03
    -1.41269782E-03     1.07628185E-03    -4.75967468E-04     1.84969095E-04
    -1.95911162E-03     1.71192673E-04    -7.78337694E-04     9.41939378E-04
    -4.13251245E-04    -8.20071215E-04    -3.02594635E-04     1.20470370E-03
    -1.90481697E-04     1.10167596E-04    -1.64087620E-04     5.41523634E-04
    -5.29015199E-04    -1.38409647E-04     1.83819820E-04     3.24598132E-05
    -3.25584448E-05    -1.58929023E-05    -5.68784295E-06    -7.83830820E-05
    -3.17189125E-03     2.57777991E-03     3.62005734E-03    -2.45073219E-03
     9.06150381E-04     3.81431226E-03     3.01157436E-03    -8.08062454E-04
    -2.97177859E-04     1.74815611E-03    -1.33641931E-03    -9.43512361E-04
     9.73387184E-04    -1.23760980E-03     3.49513302E-04    -2.40731762E-04
     1.35900509E-03    -1.64744972E-03     4.95845374E-04     3.04335009E-03
    -1.08359798E-03    -6.51546795E-06     6.83249600E-04    -1.18174844E-04
     5.20665327E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.594584E+00 ->   1.570672E+00
           Unreweighted mean energy (a.u.)  :  -1.138341E+02 ->  -1.138349E+02


 Writing parameters to correlation.out.3.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 8
 NL2SOL iteration     : 3

 Current parameters:
 Be  9.66008003E-01    -4.48921745E-03     1.52016359E-01    -2.78960368E-01
    -1.80350643E-01     6.31742863E-01     3.66007242E-01    -1.43235561E+00
     7.60435771E-01     1.51075802E+00     2.04966059E-03    -9.86106344E-03
     1.02698405E-02     2.50976789E-03     2.34042931E-03    -1.34299399E-02
    -1.59264390E-03     1.22173077E-02    -4.54706401E-03 Bm  2.50160373E+00
    -6.83047107E-02    -1.29155113E-01     3.00436985E-01    -1.67980918E-01
     2.91551681E-02    -6.43798161E-02    -9.79968276E-02     2.43075577E-01
    -1.34393005E-01     2.27806182E-02 BP  5.51056452E+00     3.80513072E-05
    -1.43819713E-05    -2.57405513E-05     9.04423679E-06    -1.24354430E-05
     4.99857448E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.71728010E+00     5.14493523E-03     2.69856516E-03    -5.55869134E-03
     3.95117529E-03    -9.88578057E-04    -1.32786056E-04     1.10621244E-04
    -1.47819288E-05     8.94114235E-03     2.85007379E-03    -5.97902740E-03
     5.63596968E-03    -3.17160701E-03     1.11993939E-03    -2.21778824E-04
     1.89287927E-05 JX  3.82589555E+00    -1.91968737E-02     5.28581419E-03
     7.01918049E-03    -8.96820420E-03     4.14687044E-03    -6.62438748E-04
 Jf  3.02957670E+00    -1.08241878E-04     3.43919332E-04    -1.32242808E-03
    -1.38755904E-03     1.07563497E-03    -4.66061614E-04     1.93519837E-04
    -1.98116463E-03     1.81541646E-04    -7.83808136E-04     9.29299454E-04
    -3.97004859E-04    -8.22189998E-04    -3.02230429E-04     1.19762886E-03
    -1.87888906E-04     1.09405307E-04    -1.65524562E-04     5.40619674E-04
    -5.19341560E-04    -1.38040438E-04     1.81930696E-04     3.26376095E-05
    -3.33722436E-05    -1.48984328E-05    -6.32854947E-06    -6.76050321E-05
    -3.15477924E-03     2.57455143E-03     3.63911110E-03    -2.46791867E-03
     9.20074918E-04     3.77931180E-03     3.03860958E-03    -8.03592421E-04
    -2.81049855E-04     1.74199564E-03    -1.32244815E-03    -9.45001303E-04
     9.73618796E-04    -1.24262241E-03     3.46608544E-04    -2.40137810E-04
     1.35246454E-03    -1.64825601E-03     4.87732289E-04     3.04749343E-03
    -1.08266787E-03    -5.24485202E-06     6.82991040E-04    -1.18786362E-04
     5.27436512E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.570672E+00 ->   1.572666E+00
           Unreweighted mean energy (a.u.)  :  -1.138349E+02 ->  -1.138346E+02


 Writing parameters to correlation.out.3.

 Current parameters:
 Be  9.62774974E-01    -4.92932675E-03     1.60546033E-01     1.04031438E-01
    -2.38403219E+00     4.59142101E+00    -1.30933279E+00    -3.34379342E+00
     2.22011376E+00     1.58785021E+00     1.85744916E-03    -5.10665265E-03
    -1.36540074E-02     4.19451064E-02    -4.72668019E-03    -4.59843832E-02
     1.38305762E-02     2.23506326E-02    -1.05904974E-02 Bm  2.54301218E+00
    -7.57136578E-02    -1.28492885E-01     3.12247830E-01    -1.78074524E-01
     3.14278804E-02    -7.41700959E-02    -9.26143374E-02     2.47051286E-01
    -1.38294745E-01     2.35928072E-02 BP  6.28516285E+00     2.84301364E-05
    -1.05834679E-05    -4.93177014E-05     1.76934162E-05     4.04193206E-06
    -1.26345407E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.78016513E+00     5.00338965E-03     3.57686790E-03    -1.00459975E-02
     1.17605636E-02    -7.73040222E-03     2.97124823E-03    -6.15133846E-04
     5.26106211E-05     8.54341641E-03     3.34012747E-03    -8.04856637E-03
     9.36214669E-03    -6.55724355E-03     2.72208920E-03    -5.97093547E-04
     5.31472263E-05 JX  3.77828076E+00    -2.04714005E-02     5.04825226E-03
     1.00728430E-02    -1.29561144E-02     5.90660532E-03    -9.15191527E-04
 Jf  3.00334847E+00    -1.13703839E-04     2.32687056E-04    -8.03012627E-04
    -1.76039797E-03     8.24099026E-04    -3.54456156E-04     2.12640609E-04
    -6.89575516E-04     1.02637540E-04    -7.20321773E-04     9.76013925E-04
    -6.21947516E-04    -9.20893218E-04     9.92763968E-05     7.55962902E-04
    -2.40810395E-04     1.09724576E-04    -7.30183072E-05     3.60307196E-04
    -4.44305519E-04     4.99931969E-04    -1.74803845E-04     2.63620289E-05
     2.64217185E-04    -3.68689178E-05    -4.32786241E-06    -7.75018165E-05
    -3.29693669E-03     2.86879057E-03     3.59826094E-03    -2.65166321E-03
     9.95212455E-04     3.92220197E-03     3.72434399E-03    -8.28637959E-04
    -2.65069719E-04     1.72545543E-03    -1.63947819E-03    -6.84904653E-04
     1.09057553E-03    -1.92527722E-03     4.66038901E-04    -2.86073616E-04
     1.35219570E-03    -1.63278267E-03     4.92966509E-04     3.18001780E-03
    -1.22145772E-03    -2.44260213E-06     8.93002752E-04    -1.60793228E-04
     6.49967833E-05

 Rejected step:
 Variance  :   1.572666E+00 ->   1.575081E+00
 Energy    :  -1.138346E+02 ->  -1.138347E+02

 Current parameters:
 Be  9.65860516E-01    -4.04069297E-03     1.49190590E-01    -2.83183712E-01
    -1.81754112E-01     6.38217264E-01     3.80404629E-01    -1.42364643E+00
     7.36118784E-01     1.52677982E+00     2.16139752E-03    -1.01401230E-02
     9.96371825E-03     3.03414528E-03     2.67202457E-03    -1.29670113E-02
    -2.02328088E-03     1.10930071E-02    -3.80530378E-03 Bm  2.50681126E+00
    -7.08327956E-02    -1.25564647E-01     2.97004050E-01    -1.66652149E-01
     2.89954749E-02    -6.72176030E-02    -9.44731504E-02     2.40385703E-01
    -1.33292228E-01     2.26191394E-02 BP  5.84023737E+00     3.12910821E-05
    -1.17121298E-05    -2.00597589E-05     6.83873097E-06    -8.98800306E-06
     3.62811645E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70827809E+00     5.19979313E-03     2.61253492E-03    -5.43356069E-03
     3.93373644E-03    -1.00114511E-03    -1.32004182E-04     1.12451745E-04
    -1.51456499E-05     9.02119685E-03     2.95139662E-03    -6.04086309E-03
     5.62732534E-03    -3.16272989E-03     1.12128440E-03    -2.22324432E-04
     1.89186135E-05 JX  3.81510294E+00    -1.96218336E-02     5.47509681E-03
     6.96784186E-03    -8.96281831E-03     4.12315489E-03    -6.54516718E-04
 Jf  3.02097271E+00    -1.12841119E-04     3.37122983E-04    -1.31458536E-03
    -1.40825450E-03     1.07642149E-03    -4.70980243E-04     1.87221711E-04
    -1.96333314E-03     1.74188921E-04    -7.82304752E-04     9.36711469E-04
    -4.07822746E-04    -8.21166004E-04    -3.02249952E-04     1.20258154E-03
    -1.89950338E-04     1.09218785E-04    -1.62536565E-04     5.41465819E-04
    -5.27180845E-04    -1.37841407E-04     1.83079787E-04     3.27256387E-05
    -3.28321102E-05    -1.55072009E-05    -5.75702665E-06    -7.40473375E-05
    -3.16862683E-03     2.57563382E-03     3.63258582E-03    -2.45639064E-03
     9.10697710E-04     3.80813509E-03     3.02263890E-03    -8.06860397E-04
    -2.92295362E-04     1.74515459E-03    -1.33243928E-03    -9.43982536E-04
     9.73777221E-04    -1.24095037E-03     3.48259580E-04    -2.40648800E-04
     1.35756184E-03    -1.64788145E-03     4.92636258E-04     3.04516010E-03
    -1.08318771E-03    -5.99729389E-06     6.83116758E-04    -1.18254456E-04
     5.22986348E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.572666E+00 ->   1.569628E+00
           Unreweighted mean energy (a.u.)  :  -1.138346E+02 ->  -1.138343E+02


 Writing parameters to correlation.out.3.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 11
 NL2SOL iteration     : 4

 Current parameters:
 Be  9.43112146E-01    -3.85637047E-03     1.55430006E-01    -3.11190096E-01
    -2.04303500E-01     7.31556420E-01     4.74251694E-01    -1.65236301E+00
     8.04562207E-01     1.53107585E+00     2.30353952E-03    -1.08274384E-02
     1.07005798E-02     3.53505982E-03     1.88062506E-03    -1.33293840E-02
    -1.59381591E-03     1.14513413E-02    -4.09296268E-03 Bm  2.51035528E+00
    -7.18038608E-02    -1.25154068E-01     2.95561472E-01    -1.65363224E-01
     2.86902203E-02    -6.68207801E-02    -9.59994574E-02     2.39939180E-01
    -1.32018290E-01     2.22710866E-02 BP  5.84034622E+00     3.12984796E-05
    -1.16847131E-05    -2.00297576E-05     6.86758116E-06    -9.02110766E-06
     3.61619848E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.76421936E+00     4.95927533E-03     2.57914003E-03    -5.37711552E-03
     3.91350644E-03    -1.00123887E-03    -1.28138613E-04     1.10808334E-04
    -1.51174978E-05     8.61181608E-03     2.91568944E-03    -5.96519007E-03
     5.60825657E-03    -3.18297192E-03     1.12928176E-03    -2.20386340E-04
     1.79972923E-05 JX  3.80086856E+00    -1.99652342E-02     5.49487718E-03
     7.00693006E-03    -9.07753218E-03     4.18676454E-03    -6.63181317E-04
 Jf  3.01523567E+00    -1.15113842E-04     3.29533209E-04    -1.31385731E-03
    -1.40329019E-03     1.07965255E-03    -4.79441603E-04     1.86690774E-04
    -1.95268632E-03     1.74149937E-04    -7.79638021E-04     9.37109143E-04
    -4.13513763E-04    -8.21505759E-04    -3.00454392E-04     1.20315103E-03
    -1.90407888E-04     1.09677023E-04    -1.67072682E-04     5.42738805E-04
    -5.27857891E-04    -1.32649123E-04     1.82008576E-04     3.24817688E-05
    -3.44742267E-05    -1.55460991E-05    -5.46392562E-06    -7.81465759E-05
    -3.18140299E-03     2.58262179E-03     3.62877486E-03    -2.44767365E-03
     9.01047002E-04     3.82145339E-03     3.02302664E-03    -8.12478519E-04
    -2.93935335E-04     1.74010197E-03    -1.33712116E-03    -9.44413742E-04
     9.75042405E-04    -1.24236174E-03     3.49072437E-04    -2.39746232E-04
     1.36205475E-03    -1.64783110E-03     4.95733698E-04     3.04495199E-03
    -1.08349729E-03    -6.33967509E-06     6.82747640E-04    -1.18046933E-04
     5.19391795E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.569628E+00 ->   1.567579E+00
           Unreweighted mean energy (a.u.)  :  -1.138343E+02 ->  -1.138342E+02


 Writing parameters to correlation.out.3.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 4
 Function evaluations : 16
 Variance reduced to  : 0.15675790E+01

 Writing parameters to correlation.out.3.


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 4
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m10s remaining]
  DTVMC #1:   1.4402E-01 (optimized)
  DTVMC #2:   1.1760E-01 (optimized)
 Done. [total CPU time: 5m8s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: good.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.8181
 Acceptance ratio #2 <level 1>        (%)  =  51.6836
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1957
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0037
 Diffusion constant #1           (Bohr^2)  = 1.1253E-02
 Diffusion constant #2           (Bohr^2)  = 9.0123E-03
 Correlation time                 (steps)  = 4.7070E+00 +- 5.9319E-01
 Efficiency                  (au^-2 s^-1)  = 1.7119E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.810484038627
  Standard error                        +/-           0.014596313881

  Kinetic energy KEI (used in Total) (au) =         115.601143371981
  Standard error                        +/-           1.539728112281

  Kinetic energy TI                  (au) =         113.898037346438
  Standard error                        +/-           0.785679199177

  Kinetic energy FISQ                (au) =         112.194931320896
  Standard error                        +/-           0.406880575547

  Potential energy                   (au) =        -271.303213892448
  Standard error                        +/-           1.540264759097

  e-e interaction                    (au) =          78.615646053632
  Standard error                        +/-           0.110606284575

  e-n interaction                    (au) =        -349.918859946080
  Standard error                        +/-           1.552209378169

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.242999783319
  Standard error                        +/-           0.050438692964

  Maximum distance from origin       (au) =           7.629867069494

  Particles affected per move       (%) :  99.9633


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  52.0407
 Acceptance ratio #2 <level 1>        (%)  =  52.0043
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3544
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2646
 Diffusion constant #1           (Bohr^2)  = 1.1274E-02
 Diffusion constant #2           (Bohr^2)  = 8.9444E-03
 Correlation time                 (steps)  = 4.2844E+00 +- 6.4115E-01
 Efficiency                  (au^-2 s^-1)  = 1.4674E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.850458818885
  Standard error                        +/-           0.015239922912

  Kinetic energy KEI (used in Total) (au) =         107.861986436471
  Standard error                        +/-           1.025545811912

  Kinetic energy TI                  (au) =         110.651711282049
  Standard error                        +/-           0.573849526386

  Kinetic energy FISQ                (au) =         113.441436127628
  Standard error                        +/-           0.569063668557

  Potential energy                   (au) =        -263.604031737196
  Standard error                        +/-           1.026534405730

  e-e interaction                    (au) =          78.225743202501
  Standard error                        +/-           0.101413233448

  e-n interaction                    (au) =        -341.829774939698
  Standard error                        +/-           1.063001498931

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.327639297156
  Standard error                        +/-           0.098991050533

  Maximum distance from origin       (au) =           8.787583158216

  Particles affected per move       (%) :  99.9754


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.6384
 Acceptance ratio #2 <level 1>        (%)  =  51.9768
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9042
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.3033
 Diffusion constant #1           (Bohr^2)  = 1.0738E-02
 Diffusion constant #2           (Bohr^2)  = 9.1673E-03
 Correlation time                 (steps)  = 4.1320E+00 +- 7.3342E-01
 Efficiency                  (au^-2 s^-1)  = 1.6946E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.869121120773
  Standard error                        +/-           0.017519502268

  Kinetic energy KEI (used in Total) (au) =         106.411182643408
  Standard error                        +/-           1.150597957891

  Kinetic energy TI                  (au) =         109.755096953209
  Standard error                        +/-           0.610322685311

  Kinetic energy FISQ                (au) =         113.099011263010
  Standard error                        +/-           0.464985059939

  Potential energy                   (au) =        -262.171890246021
  Standard error                        +/-           1.145705700134

  e-e interaction                    (au) =          78.474478606526
  Standard error                        +/-           0.104211702937

  e-n interaction                    (au) =        -340.646368852547
  Standard error                        +/-           1.207253419671

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.430464451235
  Standard error                        +/-           0.101937427482

  Maximum distance from origin       (au) =           8.014465910252

  Particles affected per move       (%) :  99.9972


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.5266
 Acceptance ratio #2 <level 1>        (%)  =  51.3004
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7614
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.5657
 Diffusion constant #1           (Bohr^2)  = 1.1409E-02
 Diffusion constant #2           (Bohr^2)  = 9.3167E-03
 Correlation time                 (steps)  = 4.3329E+00 +- 7.6380E-01
 Efficiency                  (au^-2 s^-1)  = 1.7020E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.890749812567
  Standard error                        +/-           0.015987768660

  Kinetic energy KEI (used in Total) (au) =         113.062406047615
  Standard error                        +/-           1.075452447432

  Kinetic energy TI                  (au) =         112.976458925639
  Standard error                        +/-           0.583465078464

  Kinetic energy FISQ                (au) =         112.890511803662
  Standard error                        +/-           0.470756118402

  Potential energy                   (au) =        -268.844742342023
  Standard error                        +/-           1.075366706212

  e-e interaction                    (au) =          78.624720770379
  Standard error                        +/-           0.098089482210

  e-n interaction                    (au) =        -347.469463112402
  Standard error                        +/-           1.104728126042

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.131788285271
  Standard error                        +/-           0.035697346955

  Maximum distance from origin       (au) =           8.033752149401

  Particles affected per move       (%) :  99.9857


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.5994
 Acceptance ratio #2 <level 1>        (%)  =  51.6623
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8512
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0262
 Diffusion constant #1           (Bohr^2)  = 1.0695E-02
 Diffusion constant #2           (Bohr^2)  = 9.1186E-03
 Correlation time                 (steps)  = 4.1688E+00 +- 5.5053E-01
 Efficiency                  (au^-2 s^-1)  = 1.6997E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.831140630152
  Standard error                        +/-           0.017672741248

  Kinetic energy KEI (used in Total) (au) =         123.629796273177
  Standard error                        +/-           1.805087798980

  Kinetic energy TI                  (au) =         118.995743770725
  Standard error                        +/-           0.961766131406

  Kinetic energy FISQ                (au) =         114.361691268273
  Standard error                        +/-           0.724168190625

  Potential energy                   (au) =        -279.352523385170
  Standard error                        +/-           1.801571302048

  e-e interaction                    (au) =          78.338226965015
  Standard error                        +/-           0.104843271610

  e-n interaction                    (au) =        -357.690750350184
  Standard error                        +/-           1.851511718446

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.413582957727
  Standard error                        +/-           0.091975128594

  Maximum distance from origin       (au) =           7.675938802372

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.3598
 Acceptance ratio #2 <level 1>        (%)  =  51.6761
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.5927
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0112
 Diffusion constant #1           (Bohr^2)  = 1.0703E-02
 Diffusion constant #2           (Bohr^2)  = 9.2675E-03
 Correlation time                 (steps)  = 3.2205E+00 +- 3.1965E-01
 Efficiency                  (au^-2 s^-1)  = 2.3899E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.908921715999
  Standard error                        +/-           0.016937774267

  Kinetic energy KEI (used in Total) (au) =         112.417271783442
  Standard error                        +/-           0.923540017854

  Kinetic energy TI                  (au) =         112.721254446243
  Standard error                        +/-           0.530488700296

  Kinetic energy FISQ                (au) =         113.025237109043
  Standard error                        +/-           0.512627449677

  Potential energy                   (au) =        -268.217779981281
  Standard error                        +/-           0.923441981410

  e-e interaction                    (au) =          78.957393162086
  Standard error                        +/-           0.103911515044

  e-n interaction                    (au) =        -347.175173143367
  Standard error                        +/-           0.953890289620

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.301366569657
  Standard error                        +/-           0.101058568642

  Maximum distance from origin       (au) =           6.950803991687

  Particles affected per move       (%) :  99.9962


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.7931
 Acceptance ratio #2 <level 1>        (%)  =  51.8445
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0958
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1597
 Diffusion constant #1           (Bohr^2)  = 1.0996E-02
 Diffusion constant #2           (Bohr^2)  = 9.1786E-03
 Correlation time                 (steps)  = 4.0289E+00 +- 5.2425E-01
 Efficiency                  (au^-2 s^-1)  = 1.8880E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.851757607108
  Standard error                        +/-           0.014405421218

  Kinetic energy KEI (used in Total) (au) =         107.282404463749
  Standard error                        +/-           0.906211620322

  Kinetic energy TI                  (au) =         110.390918735440
  Standard error                        +/-           0.486979247586

  Kinetic energy FISQ                (au) =         113.499433007130
  Standard error                        +/-           0.516263238161

  Potential energy                   (au) =        -263.025748552698
  Standard error                        +/-           0.903646670559

  e-e interaction                    (au) =          77.522672058208
  Standard error                        +/-           0.099461832451

  e-n interaction                    (au) =        -340.548420610906
  Standard error                        +/-           0.944233638728

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.097270803365
  Standard error                        +/-           0.030932250201

  Maximum distance from origin       (au) =           7.147552094273

  Particles affected per move       (%) :  99.9948


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.6593
 Acceptance ratio #2 <level 1>        (%)  =  51.7098
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9750
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0574
 Diffusion constant #1           (Bohr^2)  = 1.1517E-02
 Diffusion constant #2           (Bohr^2)  = 9.1318E-03
 Correlation time                 (steps)  = 4.8057E+00 +- 8.4560E-01
 Efficiency                  (au^-2 s^-1)  = 1.5278E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.800494608404
  Standard error                        +/-           0.016530420736

  Kinetic energy KEI (used in Total) (au) =         109.243416396599
  Standard error                        +/-           1.260402340337

  Kinetic energy TI                  (au) =         111.632411093333
  Standard error                        +/-           0.851295547121

  Kinetic energy FISQ                (au) =         114.021405790067
  Standard error                        +/-           1.122542903198

  Potential energy                   (au) =        -264.935497486844
  Standard error                        +/-           1.262294403639

  e-e interaction                    (au) =          77.767395070548
  Standard error                        +/-           0.096036519291

  e-n interaction                    (au) =        -342.702892557391
  Standard error                        +/-           1.301384251228

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.364182577548
  Standard error                        +/-           0.080821408009

  Maximum distance from origin       (au) =           7.975798465229

  Particles affected per move       (%) :  99.9873


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.8460
 Acceptance ratio #2 <level 1>        (%)  =  51.8171
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1158
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0911
 Diffusion constant #1           (Bohr^2)  = 1.1008E-02
 Diffusion constant #2           (Bohr^2)  = 9.0780E-03
 Correlation time                 (steps)  = 3.8410E+00 +- 4.0059E-01
 Efficiency                  (au^-2 s^-1)  = 2.1014E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.802651144224
  Standard error                        +/-           0.015965208374

  Kinetic energy KEI (used in Total) (au) =         104.577824417326
  Standard error                        +/-           0.804297606718

  Kinetic energy TI                  (au) =         108.816240873457
  Standard error                        +/-           0.469427489880

  Kinetic energy FISQ                (au) =         113.054657329587
  Standard error                        +/-           0.471751275893

  Potential energy                   (au) =        -260.272062043391
  Standard error                        +/-           0.807138468404

  e-e interaction                    (au) =          78.055869249306
  Standard error                        +/-           0.094936791331

  e-n interaction                    (au) =        -338.327931292697
  Standard error                        +/-           0.823187172650

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.240901661679
  Standard error                        +/-           0.038257038275

  Maximum distance from origin       (au) =           7.826914300929

  Particles affected per move       (%) :  99.9575


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.3109
 Acceptance ratio #2 <level 1>        (%)  =  51.5962
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.6286
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8889
 Diffusion constant #1           (Bohr^2)  = 1.1370E-02
 Diffusion constant #2           (Bohr^2)  = 9.2429E-03
 Correlation time                 (steps)  = 4.0411E+00 +- 5.0348E-01
 Efficiency                  (au^-2 s^-1)  = 1.3053E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.819757888166
  Standard error                        +/-           0.017529732272

  Kinetic energy KEI (used in Total) (au) =         109.178469208963
  Standard error                        +/-           0.832328164462

  Kinetic energy TI                  (au) =         111.135052483768
  Standard error                        +/-           0.496586228356

  Kinetic energy FISQ                (au) =         113.091635758572
  Standard error                        +/-           0.539253471361

  Potential energy                   (au) =        -264.889813578969
  Standard error                        +/-           0.829975817862

  e-e interaction                    (au) =          78.130108289957
  Standard error                        +/-           0.108443724783

  e-n interaction                    (au) =        -343.019921868926
  Standard error                        +/-           0.887177956059

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.582411657513
  Standard error                        +/-           0.212624907108

  Maximum distance from origin       (au) =           7.491648735394

  Particles affected per move       (%) :  99.9976


 Time taken in block    : : :        6.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.843553738491 +/- 0.005149811144      No correction
 -113.843553738491 +/- 0.010498835467      Correlation time method
 -113.843553738491 +/- 0.012793220583      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.843553738491 +/-       0.012793220583
    stderr:      0.012793220583 +/-       0.001306979579
    errfac:      2.469985792844 +/-       0.252338414024
    N_corr:      6.100829816851 +/-       1.246544595257
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.179471E-03   6.547382E-05
            2   6.209810E-03   1.110312E-04
            4   7.312011E-03   1.849513E-04
            8   8.379874E-03   2.999515E-04
           16   9.931986E-03   5.034099E-04
           32   1.092263E-02   7.849585E-04
           64   1.279322E-02   1.306980E-03  *** BEST ***
          128   1.348868E-02   1.969491E-03
          256   1.060624E-02   2.238324E-03
          512   1.055812E-02   3.301579E-03
         1024   1.272766E-02   6.275587E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.313260804447 +- 0.045818611482

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ==================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 4
 ==================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  9.43112146E-01    -3.85637047E-03     1.55430006E-01    -3.11190096E-01
    -2.04303500E-01     7.31556420E-01     4.74251694E-01    -1.65236301E+00
     8.04562207E-01     1.53107585E+00     2.30353952E-03    -1.08274384E-02
     1.07005798E-02     3.53505982E-03     1.88062506E-03    -1.33293840E-02
    -1.59381591E-03     1.14513413E-02    -4.09296268E-03 Bm  2.51035528E+00
    -7.18038608E-02    -1.25154068E-01     2.95561472E-01    -1.65363224E-01
     2.86902203E-02    -6.68207801E-02    -9.59994574E-02     2.39939180E-01
    -1.32018290E-01     2.22710866E-02 BP  5.84034622E+00     3.12984796E-05
    -1.16847131E-05    -2.00297576E-05     6.86758116E-06    -9.02110766E-06
     3.61619848E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.76421936E+00     4.95927533E-03     2.57914003E-03    -5.37711552E-03
     3.91350644E-03    -1.00123887E-03    -1.28138613E-04     1.10808334E-04
    -1.51174978E-05     8.61181608E-03     2.91568944E-03    -5.96519007E-03
     5.60825657E-03    -3.18297192E-03     1.12928176E-03    -2.20386340E-04
     1.79972923E-05 JX  3.80086856E+00    -1.99652342E-02     5.49487718E-03
     7.00693006E-03    -9.07753218E-03     4.18676454E-03    -6.63181317E-04
 Jf  3.01523567E+00    -1.15113842E-04     3.29533209E-04    -1.31385731E-03
    -1.40329019E-03     1.07965255E-03    -4.79441603E-04     1.86690774E-04
    -1.95268632E-03     1.74149937E-04    -7.79638021E-04     9.37109143E-04
    -4.13513763E-04    -8.21505759E-04    -3.00454392E-04     1.20315103E-03
    -1.90407888E-04     1.09677023E-04    -1.67072682E-04     5.42738805E-04
    -5.27857891E-04    -1.32649123E-04     1.82008576E-04     3.24817688E-05
    -3.44742267E-05    -1.55460991E-05    -5.46392562E-06    -7.81465759E-05
    -3.18140299E-03     2.58262179E-03     3.62877486E-03    -2.44767365E-03
     9.01047002E-04     3.82145339E-03     3.02302664E-03    -8.12478519E-04
    -2.93935335E-04     1.74010197E-03    -1.33712116E-03    -9.44413742E-04
     9.75042405E-04    -1.24236174E-03     3.49072437E-04    -2.39746232E-04
     1.36205475E-03    -1.64783110E-03     4.95733698E-04     3.04495199E-03
    -1.08349729E-03    -6.33967509E-06     6.82747640E-04    -1.18046933E-04
     5.19391795E-05

    Unreweighted variance of energy (a.u.)  :   1.328514E+00
           Unreweighted mean energy (a.u.)  :  -1.138445E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.36943424E-01    -1.70391550E-03     1.96984097E-01    -1.13998893E+00
     2.60912662E+00    -1.95690430E+00    -1.84171978E+00     3.85298929E+00
    -1.72242456E+00     1.60262644E+00     2.19349059E-03    -1.47627587E-02
     2.72430992E-02    -3.02957449E-03    -2.90283456E-02     3.06017899E-03
     3.57605756E-02    -2.74737966E-02     6.02752717E-03 Bm  2.50997162E+00
    -7.23718341E-02    -1.78901934E-01     3.82579199E-01    -2.10356677E-01
     3.63428089E-02    -7.05207353E-02    -1.95320320E-01     4.12461012E-01
    -2.25423595E-01     3.85522244E-02 BP  4.61430095E+00     1.06091752E-04
    -4.44487841E-05    -4.69749958E-05     1.65578865E-05    -5.69134776E-05
     2.47483517E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.85950280E+00     4.73359919E-03     7.29254849E-05    -1.99201740E-03
     4.08662664E-03    -3.96951895E-03     2.09471735E-03    -5.60714319E-04
     5.98656994E-05     8.38712285E-03     2.04997666E-03    -6.99183858E-03
     9.28570007E-03    -6.85716278E-03     2.83782658E-03    -6.01421459E-04
     5.10432287E-05 JX  3.77376274E+00    -2.04828903E-02     2.90721165E-03
     1.50737253E-02    -1.78034458E-02     7.89348792E-03    -1.21294360E-03
 Jf  2.97909297E+00    -1.25184395E-04     8.18308960E-04    -1.09885991E-03
    -3.49611139E-03     1.74294475E-03    -8.30463906E-04    -7.16760105E-04
    -6.52004795E-04    -1.21684522E-04    -6.83269421E-04     6.49188686E-04
     7.61985475E-04    -1.33477094E-03     1.72362724E-04     1.14958932E-03
    -4.69450516E-04     2.58328608E-04     2.68436561E-04     1.46078144E-05
    -2.33173260E-04     2.59910619E-04     3.13487860E-05    -1.72391556E-05
     4.11213079E-05     3.75879216E-05    -4.06694514E-05    -4.83819825E-05
    -3.78934780E-03     3.32527647E-03     4.54553651E-03    -3.19549581E-03
     1.18469318E-03     4.34606503E-03     3.92533669E-03    -1.01252013E-03
    -2.40573022E-04     1.92991500E-03    -1.72290111E-03    -1.21517472E-03
     1.25068263E-03    -1.37238049E-03     3.83102100E-04    -2.76882000E-04
     1.59321328E-03    -1.91605544E-03     5.67564085E-04     3.85899821E-03
    -1.41475607E-03     6.00365048E-06     8.87499978E-04    -1.57807523E-04
     6.59181982E-05

 Rejected step:
 Variance  :   1.328514E+00 ->   1.377577E+00
 Energy    :  -1.138445E+02 ->  -1.138599E+02

 Current parameters:
 Be  9.42407939E-01    -9.31011413E-04     5.78378436E-02    -1.79154462E-01
     9.80871440E-02     1.59072494E-01     6.28290061E-02    -4.60062178E-01
     2.72815052E-01     1.60807428E+00     2.13503564E-03    -1.42789553E-02
     2.82052142E-02    -1.51395177E-02    -6.56314963E-03     1.29182917E-03
     6.03213844E-03    -5.70717209E-04    -1.14013288E-03 Bm  2.50997274E+00
    -7.47807068E-02    -1.56903130E-01     3.50275421E-01    -1.93858584E-01
     3.35559143E-02    -7.59107812E-02    -1.59956977E-01     3.60582868E-01
    -1.98199018E-01     3.38086883E-02 BP  4.91315833E+00     6.32282095E-05
    -2.44324548E-05    -4.12247479E-05     1.47968642E-05    -2.54074074E-05
     1.01812595E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.88496021E+00     4.59518338E-03     9.63804484E-05    -8.27034960E-04
     1.11326059E-03    -9.19770756E-04     5.51978278E-04    -1.79241373E-04
     2.29885954E-05     8.20583247E-03     1.72399979E-03    -5.36702200E-03
     6.37745158E-03    -4.26466064E-03     1.61548983E-03    -3.11038382E-04
     2.36200479E-05 JX  3.78374344E+00    -2.02284164E-02     3.32345095E-03
     1.31708732E-02    -1.56183750E-02     6.95095285E-03    -1.07582864E-03
 Jf  2.99505922E+00    -1.20345179E-04     7.55311751E-04    -1.20746287E-03
    -3.06402310E-03     1.65762407E-03    -7.77303239E-04    -5.37954054E-04
    -1.03067697E-03    -3.53746130E-05    -6.98667259E-04     6.32427505E-04
     4.49318215E-04    -9.42396486E-04    -4.52612989E-05     8.73482906E-04
    -3.08588506E-04     1.97637925E-04     1.20752186E-04     2.30558151E-04
    -3.31165067E-04    -8.22900318E-05     1.49426211E-04    -2.10706268E-06
     2.76167131E-05     5.77225013E-06    -2.36090878E-05    -4.54028988E-05
    -3.59827710E-03     3.06277880E-03     4.35005670E-03    -2.95034327E-03
     1.07889012E-03     4.13050457E-03     3.47990716E-03    -9.81364104E-04
    -2.33770322E-04     1.77761084E-03    -1.51112526E-03    -1.11530263E-03
     1.09222618E-03    -1.20014377E-03     3.63184434E-04    -2.52165526E-04
     1.53788298E-03    -1.81374590E-03     5.49477021E-04     3.46667505E-03
    -1.22573717E-03     1.22508768E-06     7.31456070E-04    -1.33168342E-04
     5.76864814E-05

 Rejected step:
 Variance  :   1.328514E+00 ->   1.335816E+00
 Energy    :  -1.138445E+02 ->  -1.138312E+02

 Current parameters:
 Be  9.46894615E-01    -1.08196885E-03     6.65422772E-02    -1.64363909E-01
    -1.01519597E-01     4.65608788E-01     2.83959488E-01    -1.21541635E+00
     6.81689998E-01     1.60875657E+00     1.93013610E-03    -1.19566209E-02
     2.02520441E-02    -6.30513686E-03    -4.31056242E-03    -6.00289955E-03
     3.33234774E-03     6.66025321E-03    -3.64734717E-03 Bm  2.50996567E+00
    -7.64299222E-02    -1.32078257E-01     3.13618750E-01    -1.75449812E-01
     3.05021755E-02    -8.23656617E-02    -1.13272864E-01     2.91744434E-01
    -1.62262768E-01     2.75903533E-02 BP  5.30400689E+00     4.48135362E-05
    -1.68239696E-05    -3.06016469E-05     1.06758761E-05    -1.57248434E-05
     6.28443643E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.85002532E+00     4.69848348E-03     1.04758093E-03    -2.70820226E-03
     2.23979296E-03    -7.66756807E-04     1.41869732E-04    -2.92500321E-05
     5.47523419E-06     8.43480209E-03     1.72415770E-03    -5.03297527E-03
     5.60902954E-03    -3.53774515E-03     1.27439150E-03    -2.32729369E-04
     1.66657813E-05 JX  3.79857656E+00    -1.98743555E-02     3.78092931E-03
     1.09653277E-02    -1.31115472E-02     5.88534753E-03    -9.22185547E-04
 Jf  3.01019828E+00    -1.13677698E-04     5.86463000E-04    -1.30213436E-03
    -2.37667478E-03     1.48059513E-03    -6.86232592E-04    -1.76882534E-04
    -1.56653560E-03     5.79437755E-05    -7.63448492E-04     8.06512611E-04
     6.26362636E-05    -8.16362145E-04    -2.15734417E-04     9.75192147E-04
    -2.24307909E-04     1.52885183E-04     2.38050420E-06     3.79975538E-04
    -4.38029837E-04    -1.49160486E-04     1.85684465E-04     1.79984163E-05
    -7.46321025E-07    -1.30717422E-05    -1.16307052E-05    -4.28119272E-05
    -3.42189169E-03     2.86475799E-03     4.08837838E-03    -2.72604342E-03
     9.83687978E-04     3.94776851E-03     3.25252541E-03    -9.49130871E-04
    -2.37706530E-04     1.66625529E-03    -1.37196345E-03    -9.88199195E-04
     1.00127038E-03    -1.20965109E-03     3.59552879E-04    -2.35973957E-04
     1.48652111E-03    -1.72633101E-03     5.30746838E-04     3.18988334E-03
    -1.11930262E-03    -1.06295959E-06     6.75761713E-04    -1.25546890E-04
     5.41179429E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.328514E+00 ->   1.273264E+00
           Unreweighted mean energy (a.u.)  :  -1.138445E+02 ->  -1.138472E+02


 Writing parameters to correlation.out.4.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.58912462E-01    -8.84398823E-04     4.85048343E-02    -1.32401789E-01
     1.84002243E-02     1.86658473E-01     1.26664651E-01    -5.32203826E-01
     2.95392574E-01     1.54806661E+00     2.06775718E-03    -1.37809752E-02
     2.86007789E-02    -2.00321025E-02    -3.00369928E-03     6.42778524E-03
     3.37362416E-03    -5.49753980E-03     1.83128955E-03 Bm  2.34602171E+00
    -5.14582899E-02    -2.49448865E-01     4.52149445E-01    -2.34523529E-01
     3.81904363E-02    -6.19787098E-02    -2.33021011E-01     4.43367110E-01
    -2.28921825E-01     3.66797183E-02 BP  5.23956835E+00     5.06353784E-05
    -1.89528013E-05    -3.13845579E-05     1.09988414E-05    -1.76879157E-05
     6.96007912E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.85116154E+00     4.75856801E-03     4.19514481E-04    -1.38085054E-03
     1.39788136E-03    -7.66906255E-04     3.25560521E-04    -9.18211517E-05
     1.17034402E-05     8.45765109E-03     1.83650472E-03    -5.26344139E-03
     6.00396660E-03    -3.96422551E-03     1.52224506E-03    -3.03058929E-04
     2.43481016E-05 JX  3.79898153E+00    -2.01359159E-02     3.17624236E-03
     1.36382692E-02    -1.60620719E-02     7.08873872E-03    -1.09029369E-03
 Jf  2.99660607E+00    -1.20342506E-04     7.85516634E-04    -1.20656860E-03
    -3.14570525E-03     1.68233843E-03    -7.81167538E-04    -5.62363332E-04
    -9.92484575E-04    -4.23648469E-05    -7.03653506E-04     6.10814585E-04
     4.92488017E-04    -8.64128535E-04    -6.61872630E-05     7.74147951E-04
    -2.85233618E-04     1.93214278E-04     1.37119114E-04     2.24815019E-04
    -3.25253822E-04    -1.42526248E-04     1.69399919E-04    -1.82674731E-06
     2.18761975E-05     4.94277901E-06    -2.35738680E-05    -4.22692155E-05
    -3.59846341E-03     3.06877225E-03     4.35879254E-03    -2.95014068E-03
     1.06966649E-03     4.11104281E-03     3.48599649E-03    -9.85335301E-04
    -2.15675129E-04     1.72130767E-03    -1.50021016E-03    -1.06127009E-03
     1.06852172E-03    -1.23016891E-03     3.66277775E-04    -2.45410653E-04
     1.53257443E-03    -1.80029943E-03     5.57492913E-04     3.38977636E-03
    -1.18663832E-03    -2.07889568E-06     6.97076852E-04    -1.25186270E-04
     5.36820031E-05

 Rejected step:
 Variance  :   1.273264E+00 ->   1.285768E+00
 Energy    :  -1.138472E+02 ->  -1.138447E+02

 Current parameters:
 Be  9.49364058E-01    -3.55371118E-03     1.05856342E-01    -1.82134152E-01
    -1.48666611E-01     4.45963419E-01     3.41691427E-01    -1.11106316E+00
     5.50569829E-01     1.75894918E+00     2.24658480E-03    -1.10213787E-02
     1.61146180E-02    -5.19869028E-03    -2.58402085E-03    -3.26289151E-03
     2.16588724E-03     3.43194598E-03    -1.96274268E-03 Bm  2.22227083E+00
    -7.27620145E-02    -2.47805508E-01     5.42412637E-01    -3.11692566E-01
     5.41953942E-02    -7.50549753E-02    -2.19682716E-01     5.02270951E-01
    -2.86608957E-01     4.95174503E-02 BP  5.60583138E+00     2.73149093E-05
    -1.08523372E-05    -3.49541608E-05     1.15744646E-05    -1.44435759E-05
     6.21562290E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  4.17626331E+00     3.50016120E-03     1.30852882E-03    -2.63781125E-03
     2.00170841E-03    -8.71759923E-04     1.96245200E-04     4.64056934E-06
    -6.71572956E-06     6.05923820E-03     2.30013644E-03    -5.26658010E-03
     5.57384313E-03    -3.48181815E-03     1.27850667E-03    -2.40735959E-04
     1.68980758E-05 JX  3.82426888E+00    -2.05555438E-02     5.22799078E-03
     1.09476790E-02    -1.36106098E-02     6.03283726E-03    -9.13601354E-04
 Jf  3.03446843E+00    -1.31046411E-04     5.89624025E-04    -1.35790632E-03
    -2.30665294E-03     1.41735939E-03    -6.07614037E-04    -1.31956773E-04
    -1.53201612E-03     9.78545694E-05    -7.80081588E-04     8.09833739E-04
     8.26446289E-05    -8.13411091E-04    -2.07825356E-04     9.46492499E-04
    -2.22384780E-04     1.52143284E-04    -1.33876365E-05     3.74655943E-04
    -4.11075527E-04    -1.91455337E-04     1.85245105E-04     2.16383471E-05
    -2.58572903E-06    -8.21449949E-06    -1.62573691E-05    -6.95574825E-05
    -3.26853751E-03     2.77596166E-03     4.05794208E-03    -2.74015045E-03
     1.03374396E-03     3.86295681E-03     3.14928794E-03    -8.25596572E-04
    -2.55730069E-04     1.70638589E-03    -1.29709912E-03    -9.38689871E-04
     9.92923434E-04    -1.22069259E-03     3.67119657E-04    -2.53749332E-04
     1.38923612E-03    -1.73614883E-03     5.73779662E-04     3.16715522E-03
    -1.13513459E-03    -1.57736229E-06     6.80130452E-04    -1.18673300E-04
     5.22573290E-05

 Rejected step:
 Variance  :   1.273264E+00 ->   3.124149E+00
 Energy    :  -1.138472E+02 ->  -1.137766E+02

 Current parameters:
 Be  9.57936941E-01    -1.09018145E-03     6.37513461E-02    -1.54553742E-01
    -9.58305416E-02     4.29076298E-01     2.60691400E-01    -1.10257352E+00
     6.15342475E-01     1.56934945E+00     1.98606484E-03    -1.22010787E-02
     2.06425261E-02    -6.70083503E-03    -3.79849076E-03    -6.39879106E-03
     3.08644517E-03     6.99789262E-03    -3.68929662E-03 Bm  2.43537551E+00
    -7.55251813E-02    -1.58851955E-01     3.61420716E-01    -2.01876949E-01
     3.49563181E-02    -8.42880651E-02    -1.36534108E-01     3.37503478E-01
    -1.87399737E-01     3.17576682E-02 BP  5.36145401E+00     4.34339290E-05
    -1.61964356E-05    -2.90097404E-05     1.01526475E-05    -1.48866267E-05
     5.87668645E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.85651641E+00     4.68994556E-03     1.05915624E-03    -2.62124042E-03
     2.17780721E-03    -7.78733407E-04     1.53815827E-04    -2.72023471E-05
     4.29994709E-06     8.40908715E-03     1.79001116E-03    -5.08440394E-03
     5.61997391E-03    -3.52808985E-03     1.27664708E-03    -2.37180482E-04
     1.75778417E-05 JX  3.81231552E+00    -1.97768835E-02     3.87853749E-03
     1.11171332E-02    -1.34174708E-02     5.99869567E-03    -9.34747908E-04
 Jf  3.01104738E+00    -1.16310226E-04     6.05647859E-04    -1.30068183E-03
    -2.44129393E-03     1.48880738E-03    -6.80671575E-04    -1.93974581E-04
    -1.53941445E-03     5.44235189E-05    -7.61831187E-04     8.04478587E-04
     8.74677707E-05    -8.12499158E-04    -2.12508245E-04     9.64350304E-04
    -2.26585739E-04     1.54852592E-04     1.26109472E-05     3.67990962E-04
    -4.33318533E-04    -1.52653976E-04     1.86373123E-04     1.77659072E-05
     8.44264807E-07    -1.25353925E-05    -1.24521242E-05    -4.06933499E-05
    -3.42668239E-03     2.87138601E-03     4.11563103E-03    -2.74162449E-03
     9.88991123E-04     3.95485866E-03     3.25338396E-03    -9.51307057E-04
    -2.38921039E-04     1.66839849E-03    -1.36602143E-03    -9.82178430E-04
     1.00030773E-03    -1.21148628E-03     3.59378796E-04    -2.34962495E-04
     1.49109673E-03    -1.73322652E-03     5.35708999E-04     3.19346643E-03
    -1.12169699E-03    -1.00393422E-06     6.76997521E-04    -1.25147772E-04
     5.34321582E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.273264E+00 ->   1.272383E+00
           Unreweighted mean energy (a.u.)  :  -1.138472E+02 ->  -1.138473E+02


 Writing parameters to correlation.out.4.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 8
 NL2SOL iteration     : 3

 Current parameters:
 Be  9.68646459E-01    -8.69134634E-04     5.81979726E-02    -1.46091566E-01
    -8.72137138E-02     4.02400881E-01     2.39646983E-01    -1.01413698E+00
     5.60971499E-01     1.47866506E+00     2.05595523E-03    -1.30136967E-02
     2.26676534E-02    -7.60524071E-03    -3.75601500E-03    -8.42470015E-03
     3.32135469E-03     9.52932599E-03    -4.88703329E-03 Bm  2.46242737E+00
    -7.43577183E-02    -1.55895005E-01     3.46802108E-01    -1.90116724E-01
     3.24170187E-02    -8.20478475E-02    -1.36622150E-01     3.26691306E-01
    -1.77859599E-01     2.95767856E-02 BP  5.30567059E+00     4.59243826E-05
    -1.71234236E-05    -2.91649631E-05     1.03438530E-05    -1.55015208E-05
     6.03621737E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.82676413E+00     4.80884369E-03     1.00973410E-03    -2.57452430E-03
     2.17247893E-03    -7.75999682E-04     1.54016038E-04    -2.95826430E-05
     4.99745142E-06     8.63071367E-03     1.76946040E-03    -5.09553704E-03
     5.62641361E-03    -3.52981172E-03     1.27905120E-03    -2.38695368E-04
     1.79275489E-05 JX  3.80776941E+00    -1.98052189E-02     3.69083767E-03
     1.13555953E-02    -1.35450228E-02     6.03222364E-03    -9.39465293E-04
 Jf  3.00934602E+00    -1.16852343E-04     6.10851465E-04    -1.29469971E-03
    -2.45942334E-03     1.49840832E-03    -6.92321325E-04    -2.05709062E-04
    -1.53360480E-03     4.77750422E-05    -7.60515842E-04     7.99091558E-04
     1.04040301E-04    -8.11286764E-04    -2.10468011E-04     9.59985092E-04
    -2.28179140E-04     1.57222811E-04     2.01413542E-05     3.61543319E-04
    -4.29880598E-04    -1.53543013E-04     1.86713677E-04     1.69777274E-05
     2.47810390E-06    -1.28201510E-05    -1.25493970E-05    -3.78496323E-05
    -3.44283709E-03     2.88306321E-03     4.14422266E-03    -2.75098598E-03
     9.89773111E-04     3.96871334E-03     3.26023954E-03    -9.60804730E-04
    -2.37248846E-04     1.66216713E-03    -1.36735856E-03    -9.83744003E-04
     1.00203707E-03    -1.21004552E-03     3.58931351E-04    -2.33773004E-04
     1.50098592E-03    -1.73669463E-03     5.36944874E-04     3.19476708E-03
    -1.12168245E-03    -1.02417024E-06     6.76785054E-04    -1.25577957E-04
     5.34977703E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.272383E+00 ->   1.271773E+00
           Unreweighted mean energy (a.u.)  :  -1.138473E+02 ->  -1.138458E+02


 Writing parameters to correlation.out.4.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 9
 NL2SOL iteration     : 4

 Current parameters:
 Be  9.73272208E-01    -1.01217301E-03     5.66896140E-02    -1.37002246E-01
    -8.39842396E-02     3.76628988E-01     2.27325912E-01    -9.53008636E-01
     5.26851794E-01     1.48164507E+00     2.04841308E-03    -1.28786018E-02
     2.30054332E-02    -8.71026490E-03    -4.55452820E-03    -7.55669877E-03
     4.73005493E-03     9.92141710E-03    -6.03192129E-03 Bm  2.48715216E+00
    -7.47033652E-02    -1.48421335E-01     3.31129152E-01    -1.80812634E-01
     3.07318056E-02    -7.97678588E-02    -1.33669078E-01     3.17657167E-01
    -1.73840376E-01     2.92649213E-02 BP  5.18311240E+00     4.96284151E-05
    -1.85882980E-05    -3.25551105E-05     1.16266944E-05    -1.77443632E-05
     6.93953501E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.85569577E+00     4.71572265E-03     9.73638545E-04    -2.47366689E-03
     2.09874857E-03    -7.84889097E-04     1.68540743E-04    -3.04107317E-05
     4.41784459E-06     8.41850325E-03     1.79429718E-03    -5.08432160E-03
     5.62123216E-03    -3.54823221E-03     1.29153445E-03    -2.40597844E-04
     1.77556051E-05 JX  3.80490493E+00    -1.99267754E-02     3.58759057E-03
     1.16784274E-02    -1.37974450E-02     6.13031928E-03    -9.54244160E-04
 Jf  3.01101345E+00    -1.16979421E-04     6.25025259E-04    -1.28943107E-03
    -2.51444942E-03     1.52520222E-03    -7.11837937E-04    -2.41283838E-04
    -1.48675408E-03     4.03644419E-05    -7.52809874E-04     7.77917833E-04
     1.51239218E-04    -8.19622020E-04    -1.99944449E-04     9.35749425E-04
    -2.31007080E-04     1.63057446E-04     3.01357443E-05     3.46271541E-04
    -4.16901741E-04    -1.57097278E-04     1.88098438E-04     1.58009067E-05
     4.61691145E-06    -1.23974055E-05    -1.36283079E-05    -3.96981578E-05
    -3.43986981E-03     2.89705482E-03     4.15591612E-03    -2.76971378E-03
     1.00087961E-03     3.95766126E-03     3.28021339E-03    -9.53580533E-04
    -2.28296312E-04     1.65439304E-03    -1.36609944E-03    -9.90767539E-04
     1.00761689E-03    -1.20731721E-03     3.61554794E-04    -2.37348541E-04
     1.49268278E-03    -1.74001824E-03     5.42897613E-04     3.20588321E-03
    -1.12559809E-03    -1.09723793E-06     6.74060319E-04    -1.25383717E-04
     5.41447563E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.271773E+00 ->   1.269275E+00
           Unreweighted mean energy (a.u.)  :  -1.138458E+02 ->  -1.138480E+02


 Writing parameters to correlation.out.4.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 10
 NL2SOL iteration     : 5

 Current parameters:
 Be  9.75271114E-01    -1.00135324E-03     5.45543602E-02    -1.30490194E-01
    -8.18911115E-02     3.56416516E-01     2.22701986E-01    -9.04955814E-01
     4.96896559E-01     1.41003088E+00     2.15239920E-03    -1.37469358E-02
     2.49162888E-02    -9.48157999E-03    -4.58051225E-03    -9.69465019E-03
     5.09500313E-03     1.29655260E-02    -7.62737398E-03 Bm  2.50103857E+00
    -7.73197758E-02    -1.39422251E-01     3.21141137E-01    -1.76733846E-01
     3.02220987E-02    -8.10107283E-02    -1.30314791E-01     3.15511101E-01
    -1.73916909E-01     2.95168663E-02 BP  5.14543939E+00     5.09382493E-05
    -1.90456060E-05    -3.39674807E-05     1.20629261E-05    -1.86146078E-05
     7.29071834E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.86573526E+00     4.67184736E-03     8.97087704E-04    -2.33548990E-03
     2.03302551E-03    -7.93118228E-04     1.80936905E-04    -3.26083598E-05
     4.39869849E-06     8.35521342E-03     1.77799685E-03    -5.03768872E-03
     5.59926023E-03    -3.56199752E-03     1.30868859E-03    -2.46625847E-04
     1.84820486E-05 JX  3.79921232E+00    -2.00261471E-02     3.53373138E-03
     1.18954693E-02    -1.40768921E-02     6.27127243E-03    -9.77976293E-04
 Jf  3.01019209E+00    -1.16918656E-04     6.42887835E-04    -1.28159954E-03
    -2.59185519E-03     1.55449072E-03    -7.28845352E-04    -2.87334704E-04
    -1.43585306E-03     2.56674099E-05    -7.42281888E-04     7.56327094E-04
     2.07380563E-04    -8.26102986E-04    -1.88001574E-04     9.12867867E-04
    -2.35473587E-04     1.68119349E-04     4.64776138E-05     3.28172573E-04
    -4.05695202E-04    -1.60489840E-04     1.88458092E-04     1.43352044E-05
     8.26620222E-06    -1.18409061E-05    -1.45532322E-05    -4.05127734E-05
    -3.44914009E-03     2.91886337E-03     4.15808903E-03    -2.79212984E-03
     1.01235807E-03     3.95821208E-03     3.30837930E-03    -9.56871517E-04
    -2.23753948E-04     1.65913454E-03    -1.38656889E-03    -9.98696529E-04
     1.01325989E-03    -1.20616856E-03     3.62625738E-04    -2.39610083E-04
     1.49431266E-03    -1.74195917E-03     5.40687434E-04     3.22245525E-03
    -1.12999833E-03    -1.14660527E-06     6.73362236E-04    -1.24941054E-04
     5.42451017E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.269275E+00 ->   1.268599E+00
           Unreweighted mean energy (a.u.)  :  -1.138480E+02 ->  -1.138473E+02


 Writing parameters to correlation.out.4.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 11
 NL2SOL iteration     : 6

 Current parameters:
 Be  9.71261603E-01    -9.27669053E-04     5.41816751E-02    -1.31828044E-01
    -8.26500741E-02     3.62765820E-01     2.29064715E-01    -9.26840042E-01
     5.08961187E-01     1.40791419E+00     2.16606540E-03    -1.39200459E-02
     2.52906153E-02    -9.26381215E-03    -4.71261966E-03    -1.01465944E-02
     4.73129435E-03     1.29903759E-02    -7.19313929E-03 Bm  2.46003583E+00
    -7.89729215E-02    -1.48404844E-01     3.44678588E-01    -1.91463827E-01
     3.29146885E-02    -8.41592223E-02    -1.38834936E-01     3.40242535E-01
    -1.88880120E-01     3.20973183E-02 BP  4.92764285E+00     5.78424909E-05
    -2.18345108E-05    -4.25139933E-05     1.52827059E-05    -2.40942571E-05
     9.53936830E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.87886323E+00     4.63356727E-03     8.76550313E-04    -2.30792780E-03
     2.02445323E-03    -7.97261509E-04     1.82637496E-04    -3.23052748E-05
     4.27006195E-06     8.28143426E-03     1.76101100E-03    -5.03887690E-03
     5.60544697E-03    -3.56216832E-03     1.30950310E-03    -2.47785787E-04
     1.87392120E-05 JX  3.80636508E+00    -1.98758756E-02     3.60247180E-03
     1.19795740E-02    -1.41758185E-02     6.28852962E-03    -9.75375607E-04
 Jf  3.01096304E+00    -1.14890814E-04     6.52517738E-04    -1.28348196E-03
    -2.60046901E-03     1.55445556E-03    -7.24847903E-04    -2.91315936E-04
    -1.43431127E-03     2.64838931E-05    -7.46108883E-04     7.53952394E-04
     2.19110894E-04    -8.23571308E-04    -1.86260680E-04     9.09175733E-04
    -2.35899093E-04     1.68389682E-04     4.96676525E-05     3.24674025E-04
    -4.00812237E-04    -1.63425223E-04     1.88115743E-04     1.37969504E-05
     8.87131254E-06    -1.14298264E-05    -1.48768385E-05    -3.96514615E-05
    -3.44612876E-03     2.91821378E-03     4.16363771E-03    -2.79702391E-03
     1.01737529E-03     3.95994715E-03     3.30468765E-03    -9.56054002E-04
    -2.26440904E-04     1.65900541E-03    -1.38264149E-03    -9.94683250E-04
     1.01353727E-03    -1.20614580E-03     3.62749516E-04    -2.40129639E-04
     1.49484174E-03    -1.74408736E-03     5.44543782E-04     3.22243395E-03
    -1.13149995E-03    -1.28831066E-06     6.73775148E-04    -1.24633641E-04
     5.40313912E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.268599E+00 ->   1.275354E+00
           Unreweighted mean energy (a.u.)  :  -1.138473E+02 ->  -1.138519E+02


 Writing parameters to correlation.out.4.

 Current parameters:
 Be  9.79301219E-01    -1.66377220E-03     1.74097417E-01    -9.52623046E-01
     2.09663248E+00    -1.77095516E+00    -4.12180295E-01     1.53135846E+00
    -6.54342258E-01     1.28527359E+00     2.06022328E-03    -1.21357049E-02
     1.17106192E-02     4.11382796E-02    -9.35545070E-02     3.23015128E-02
     8.30352274E-02    -9.89626943E-02     3.44329046E-02 Bm  1.81148970E+00
    -5.00412145E-02    -2.30536916E-01    -3.77797110E-02     4.71013201E-01
    -2.20171129E-01    -1.81931477E-02    -4.16713407E-01     3.27364445E-01
     1.99105280E-01    -1.48322184E-01 BP  5.03085894E+00     8.89086062E-05
    -3.40276967E-05    -1.81491420E-05     5.77250260E-06    -4.50148244E-05
     1.77084009E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.84067044E+00     4.84055118E-03     1.11735281E-04    -1.28811499E-03
     2.13181336E-03    -1.82877180E-03     9.34813431E-04    -2.52183630E-04
     2.77622549E-05     8.55271972E-03     2.14773445E-03    -6.90783073E-03
     8.94906769E-03    -6.55296176E-03     2.71847982E-03    -5.80675665E-04
     4.98945529E-05 JX  3.79167087E+00    -2.03882787E-02     2.89759979E-03
     1.52488810E-02    -1.80184286E-02     7.95296004E-03    -1.21732626E-03
 Jf  2.98556118E+00    -1.26184389E-04     8.41984133E-04    -9.83114155E-04
    -3.70241314E-03     1.74841351E-03    -8.33068545E-04    -7.56555042E-04
    -2.88263268E-04    -1.41035908E-04    -6.57382348E-04     5.82883352E-04
     7.74828175E-04    -1.17100199E-03     2.26713452E-04     8.35082919E-04
    -4.48878895E-04     2.62361864E-04     2.94312903E-04    -1.91709446E-05
    -1.99004628E-04     2.64344210E-04    -1.30705362E-05    -1.93654348E-05
     1.11024335E-04     3.10736801E-05    -4.24222172E-05    -4.08625581E-05
    -3.75215310E-03     3.35446975E-03     4.48065590E-03    -3.20264540E-03
     1.19423855E-03     4.28919285E-03     4.04978122E-03    -1.00972496E-03
    -2.20690265E-04     1.84733187E-03    -1.73834291E-03    -1.06075019E-03
     1.23519741E-03    -1.56325387E-03     4.14854416E-04    -2.82502543E-04
     1.57476969E-03    -1.88038489E-03     5.68457099E-04     3.76130147E-03
    -1.39970390E-03     6.57655796E-06     9.05941914E-04    -1.63450426E-04
     6.69587150E-05

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 6
 Function evaluations : 18
 Variance reduced to  : 0.12685991E+01

 Writing parameters to correlation.out.4.


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 5
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m9s remaining]
  DTVMC #1:   1.4429E-01 (optimized)
  DTVMC #2:   1.1758E-01 (optimized)
 Done. [total CPU time: 5m7s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: good.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.8460
 Acceptance ratio #2 <level 1>        (%)  =  51.6224
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0779
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9189
 Diffusion constant #1           (Bohr^2)  = 1.1293E-02
 Diffusion constant #2           (Bohr^2)  = 9.3101E-03
 Correlation time                 (steps)  = 4.1413E+00 +- 5.5736E-01
 Efficiency                  (au^-2 s^-1)  = 1.6303E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.820456931970
  Standard error                        +/-           0.016827556610

  Kinetic energy KEI (used in Total) (au) =         112.356665383571
  Standard error                        +/-           0.919406644766

  Kinetic energy TI                  (au) =         112.590569142579
  Standard error                        +/-           0.578754880849

  Kinetic energy FISQ                (au) =         112.824472901586
  Standard error                        +/-           0.704499058016

  Potential energy                   (au) =        -268.068708797382
  Standard error                        +/-           0.920649386556

  e-e interaction                    (au) =          78.219310252565
  Standard error                        +/-           0.116038890477

  e-n interaction                    (au) =        -346.288019049947
  Standard error                        +/-           0.984525710662

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.483525943125
  Standard error                        +/-           0.168452452452

  Maximum distance from origin       (au) =           8.776893755035

  Particles affected per move       (%) :  99.8500


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.7851
 Acceptance ratio #2 <level 1>        (%)  =  51.3953
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0439
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7242
 Diffusion constant #1           (Bohr^2)  = 1.1158E-02
 Diffusion constant #2           (Bohr^2)  = 9.5029E-03
 Correlation time                 (steps)  = 3.5428E+00 +- 3.7441E-01
 Efficiency                  (au^-2 s^-1)  = 2.2710E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.868669300852
  Standard error                        +/-           0.016414799739

  Kinetic energy KEI (used in Total) (au) =         118.566215763013
  Standard error                        +/-           1.152816701665

  Kinetic energy TI                  (au) =         116.127730926954
  Standard error                        +/-           0.654376259061

  Kinetic energy FISQ                (au) =         113.689246090896
  Standard error                        +/-           0.610475626343

  Potential energy                   (au) =        -274.326471545706
  Standard error                        +/-           1.153116092972

  e-e interaction                    (au) =          78.075433606998
  Standard error                        +/-           0.090564068659

  e-n interaction                    (au) =        -352.401905152704
  Standard error                        +/-           1.197768748388

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.244912411158
  Standard error                        +/-           0.054169659677

  Maximum distance from origin       (au) =           7.516707664085

  Particles affected per move       (%) :  99.8510


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.6144
 Acceptance ratio #2 <level 1>        (%)  =  51.7260
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8472
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9388
 Diffusion constant #1           (Bohr^2)  = 1.1025E-02
 Diffusion constant #2           (Bohr^2)  = 9.2190E-03
 Correlation time                 (steps)  = 5.2902E+00 +- 7.0317E-01
 Efficiency                  (au^-2 s^-1)  = 1.0749E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.809429770741
  Standard error                        +/-           0.017812593397

  Kinetic energy KEI (used in Total) (au) =         106.904054614257
  Standard error                        +/-           0.719023733216

  Kinetic energy TI                  (au) =         110.184509276969
  Standard error                        +/-           0.581251138381

  Kinetic energy FISQ                (au) =         113.464963939681
  Standard error                        +/-           0.902490114808

  Potential energy                   (au) =        -262.605070866838
  Standard error                        +/-           0.721402487073

  e-e interaction                    (au) =          77.990056679652
  Standard error                        +/-           0.105267766947

  e-n interaction                    (au) =        -340.595127546490
  Standard error                        +/-           0.753243040385

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.467833335091
  Standard error                        +/-           0.145634583280

  Maximum distance from origin       (au) =           7.515106667099

  Particles affected per move       (%) :  99.8970


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  52.0567
 Acceptance ratio #2 <level 1>        (%)  =  51.8246
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3255
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0774
 Diffusion constant #1           (Bohr^2)  = 1.1316E-02
 Diffusion constant #2           (Bohr^2)  = 9.2618E-03
 Correlation time                 (steps)  = 3.4004E+00 +- 4.5458E-01
 Efficiency                  (au^-2 s^-1)  = 1.7457E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.833543934270
  Standard error                        +/-           0.019008579355

  Kinetic energy KEI (used in Total) (au) =         110.390031995326
  Standard error                        +/-           0.763204876519

  Kinetic energy TI                  (au) =         112.075696075302
  Standard error                        +/-           0.494894081039

  Kinetic energy FISQ                (au) =         113.761360155277
  Standard error                        +/-           0.643749590158

  Potential energy                   (au) =        -266.115162411437
  Standard error                        +/-           0.760745487297

  e-e interaction                    (au) =          78.311374043448
  Standard error                        +/-           0.100777017774

  e-n interaction                    (au) =        -344.426536454885
  Standard error                        +/-           0.784020469568

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.687316495471
  Standard error                        +/-           0.377084997928

  Maximum distance from origin       (au) =           8.087055275365

  Particles affected per move       (%) :  99.9093


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.8690
 Acceptance ratio #2 <level 1>        (%)  =  51.6324
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1717
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8952
 Diffusion constant #1           (Bohr^2)  = 1.1142E-02
 Diffusion constant #2           (Bohr^2)  = 8.8812E-03
 Correlation time                 (steps)  = 4.0105E+00 +- 4.9016E-01
 Efficiency                  (au^-2 s^-1)  = 2.0556E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.822568746566
  Standard error                        +/-           0.015864159910

  Kinetic energy KEI (used in Total) (au) =         106.229702103932
  Standard error                        +/-           1.027662654263

  Kinetic energy TI                  (au) =         109.472646907754
  Standard error                        +/-           0.560744861616

  Kinetic energy FISQ                (au) =         112.715591711575
  Standard error                        +/-           0.429415937098

  Potential energy                   (au) =        -261.943857332339
  Standard error                        +/-           1.025377974164

  e-e interaction                    (au) =          78.346590200143
  Standard error                        +/-           0.105998789551

  e-n interaction                    (au) =        -340.290447532482
  Standard error                        +/-           1.054520566411

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.214972821246
  Standard error                        +/-           0.050982176669

  Maximum distance from origin       (au) =           7.425500027275

  Particles affected per move       (%) :  99.9154


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.6034
 Acceptance ratio #2 <level 1>        (%)  =  51.6573
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8612
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9264
 Diffusion constant #1           (Bohr^2)  = 1.1188E-02
 Diffusion constant #2           (Bohr^2)  = 8.9635E-03
 Correlation time                 (steps)  = 3.4191E+00 +- 4.3679E-01
 Efficiency                  (au^-2 s^-1)  = 1.5706E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.887432861340
  Standard error                        +/-           0.017125761231

  Kinetic energy KEI (used in Total) (au) =         110.330963144018
  Standard error                        +/-           1.290295914935

  Kinetic energy TI                  (au) =         111.899489889670
  Standard error                        +/-           0.778501133409

  Kinetic energy FISQ                (au) =         113.468016635323
  Standard error                        +/-           0.882924201177

  Potential energy                   (au) =        -266.109982487199
  Standard error                        +/-           1.291051755722

  e-e interaction                    (au) =          78.367496888985
  Standard error                        +/-           0.102340111270

  e-n interaction                    (au) =        -344.477479376184
  Standard error                        +/-           1.330719120726

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.554318635449
  Standard error                        +/-           0.139056480681

  Maximum distance from origin       (au) =           8.876894455174

  Particles affected per move       (%) :  99.8517


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.4117
 Acceptance ratio #2 <level 1>        (%)  =  51.4340
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.6665
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.6768
 Diffusion constant #1           (Bohr^2)  = 1.1627E-02
 Diffusion constant #2           (Bohr^2)  = 9.1794E-03
 Correlation time                 (steps)  = 3.6007E+00 +- 4.6470E-01
 Efficiency                  (au^-2 s^-1)  = 1.4332E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.817362626660
  Standard error                        +/-           0.021069100918

  Kinetic energy KEI (used in Total) (au) =         108.459591276099
  Standard error                        +/-           1.091436081254

  Kinetic energy TI                  (au) =         111.861493845506
  Standard error                        +/-           0.982314790139

  Kinetic energy FISQ                (au) =         115.263396414913
  Standard error                        +/-           1.519992830407

  Potential energy                   (au) =        -264.168540384600
  Standard error                        +/-           1.088937859898

  e-e interaction                    (au) =          78.312353229675
  Standard error                        +/-           0.109801344057

  e-n interaction                    (au) =        -342.480893614275
  Standard error                        +/-           1.146192828110

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.940893374849
  Standard error                        +/-           0.347686940712

  Maximum distance from origin       (au) =           7.246267767955

  Particles affected per move       (%) :  99.9602


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.7183
 Acceptance ratio #2 <level 1>        (%)  =  51.8109
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9970
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0936
 Diffusion constant #1           (Bohr^2)  = 1.1016E-02
 Diffusion constant #2           (Bohr^2)  = 9.1629E-03
 Correlation time                 (steps)  = 3.9172E+00 +- 5.3354E-01
 Efficiency                  (au^-2 s^-1)  = 1.9179E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.834743686577
  Standard error                        +/-           0.016509038191

  Kinetic energy KEI (used in Total) (au) =         105.918152528726
  Standard error                        +/-           0.826393167169

  Kinetic energy TI                  (au) =         109.190302187997
  Standard error                        +/-           0.463288866294

  Kinetic energy FISQ                (au) =         112.462451847268
  Standard error                        +/-           0.414375985012

  Potential energy                   (au) =        -261.644482697143
  Standard error                        +/-           0.825892505058

  e-e interaction                    (au) =          77.993940051395
  Standard error                        +/-           0.096557937722

  e-n interaction                    (au) =        -339.638422748538
  Standard error                        +/-           0.849653766657

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.333175113326
  Standard error                        +/-           0.088956294138

  Maximum distance from origin       (au) =           7.521812029295

  Particles affected per move       (%) :  99.8752


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.3598
 Acceptance ratio #2 <level 1>        (%)  =  51.5288
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7584
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8041
 Diffusion constant #1           (Bohr^2)  = 1.1342E-02
 Diffusion constant #2           (Bohr^2)  = 8.7034E-03
 Correlation time                 (steps)  = 3.7590E+00 +- 4.1934E-01
 Efficiency                  (au^-2 s^-1)  = 1.6961E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.856606490540
  Standard error                        +/-           0.017507092320

  Kinetic energy KEI (used in Total) (au) =         121.938746279100
  Standard error                        +/-           0.874733703209

  Kinetic energy TI                  (au) =         117.750624412569
  Standard error                        +/-           0.547757980241

  Kinetic energy FISQ                (au) =         113.562502546038
  Standard error                        +/-           0.682476369295

  Potential energy                   (au) =        -277.686939251481
  Standard error                        +/-           0.872660018680

  e-e interaction                    (au) =          78.714386060116
  Standard error                        +/-           0.109786413761

  e-n interaction                    (au) =        -356.401325311597
  Standard error                        +/-           0.878412441657

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.309139230654
  Standard error                        +/-           0.082123684842

  Maximum distance from origin       (au) =           8.046094979701

  Particles affected per move       (%) :  99.7860


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.5705
 Acceptance ratio #2 <level 1>        (%)  =  51.9294
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8762
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1298
 Diffusion constant #1           (Bohr^2)  = 1.0835E-02
 Diffusion constant #2           (Bohr^2)  = 8.8843E-03
 Correlation time                 (steps)  = 3.7194E+00 +- 3.9441E-01
 Efficiency                  (au^-2 s^-1)  = 2.0261E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.795339022802
  Standard error                        +/-           0.015742378317

  Kinetic energy KEI (used in Total) (au) =         117.221848234808
  Standard error                        +/-           0.872239956735

  Kinetic energy TI                  (au) =         115.322341229252
  Standard error                        +/-           0.498996134010

  Kinetic energy FISQ                (au) =         113.422834223696
  Standard error                        +/-           0.506555728529

  Potential energy                   (au) =        -272.908773739451
  Standard error                        +/-           0.869921948398

  e-e interaction                    (au) =          78.744917457899
  Standard error                        +/-           0.084313595337

  e-n interaction                    (au) =        -351.653691197350
  Standard error                        +/-           0.887448912771

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.329131981899
  Standard error                        +/-           0.067556238766

  Maximum distance from origin       (au) =           7.413250974524

  Particles affected per move       (%) :  99.9470


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.834615337232 +/- 0.005520749270      No correction
 -113.834615337232 +/- 0.010874703343      Correlation time method
 -113.834615337232 +/- 0.011125809591      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.834615337232 +/-       0.011125809591
    stderr:      0.011125809591 +/-       0.001136633723
    errfac:      2.010817016708 +/-       0.205428864554
    N_corr:      4.043385074684 +/-       0.826159713137
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.532980E-03   6.994252E-05
            2   6.583165E-03   1.177067E-04
            4   7.794626E-03   1.971586E-04
            8   9.160709E-03   3.279009E-04
           16   1.045629E-02   5.299847E-04
           32   1.095217E-02   7.870814E-04
           64   1.112581E-02   1.136634E-03  *** BEST ***
          128   9.956527E-03   1.453759E-03
          256   8.024614E-03   1.693502E-03
          512   8.238510E-03   2.576225E-03
         1024   3.782831E-03   1.865189E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.456521934227 +- 0.071070547484

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ==================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 5
 ==================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  9.75271114E-01    -1.00135324E-03     5.45543602E-02    -1.30490194E-01
    -8.18911115E-02     3.56416516E-01     2.22701986E-01    -9.04955814E-01
     4.96896559E-01     1.41003088E+00     2.15239920E-03    -1.37469358E-02
     2.49162888E-02    -9.48157999E-03    -4.58051225E-03    -9.69465019E-03
     5.09500313E-03     1.29655260E-02    -7.62737398E-03 Bm  2.50103857E+00
    -7.73197758E-02    -1.39422251E-01     3.21141137E-01    -1.76733846E-01
     3.02220987E-02    -8.10107283E-02    -1.30314791E-01     3.15511101E-01
    -1.73916909E-01     2.95168663E-02 BP  5.14543939E+00     5.09382493E-05
    -1.90456060E-05    -3.39674807E-05     1.20629261E-05    -1.86146078E-05
     7.29071834E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.86573526E+00     4.67184736E-03     8.97087704E-04    -2.33548990E-03
     2.03302551E-03    -7.93118228E-04     1.80936905E-04    -3.26083598E-05
     4.39869849E-06     8.35521342E-03     1.77799685E-03    -5.03768872E-03
     5.59926023E-03    -3.56199752E-03     1.30868859E-03    -2.46625847E-04
     1.84820486E-05 JX  3.79921232E+00    -2.00261471E-02     3.53373138E-03
     1.18954693E-02    -1.40768921E-02     6.27127243E-03    -9.77976293E-04
 Jf  3.01019209E+00    -1.16918656E-04     6.42887835E-04    -1.28159954E-03
    -2.59185519E-03     1.55449072E-03    -7.28845352E-04    -2.87334704E-04
    -1.43585306E-03     2.56674099E-05    -7.42281888E-04     7.56327094E-04
     2.07380563E-04    -8.26102986E-04    -1.88001574E-04     9.12867867E-04
    -2.35473587E-04     1.68119349E-04     4.64776138E-05     3.28172573E-04
    -4.05695202E-04    -1.60489840E-04     1.88458092E-04     1.43352044E-05
     8.26620222E-06    -1.18409061E-05    -1.45532322E-05    -4.05127734E-05
    -3.44914009E-03     2.91886337E-03     4.15808903E-03    -2.79212984E-03
     1.01235807E-03     3.95821208E-03     3.30837930E-03    -9.56871517E-04
    -2.23753948E-04     1.65913454E-03    -1.38656889E-03    -9.98696529E-04
     1.01325989E-03    -1.20616856E-03     3.62625738E-04    -2.39610083E-04
     1.49431266E-03    -1.74195917E-03     5.40687434E-04     3.22245525E-03
    -1.12999833E-03    -1.14660527E-06     6.73362236E-04    -1.24941054E-04
     5.42451017E-05

    Unreweighted variance of energy (a.u.)  :   1.704281E+00
           Unreweighted mean energy (a.u.)  :  -1.138402E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.64435770E-01    -3.76561476E-03     1.94873956E-01    -6.36161427E-01
     5.12168665E-01     5.81830226E-01    -7.74694801E-01    -2.36346289E-01
     3.78966563E-01     1.36763255E+00     3.01334814E-03    -2.12676233E-02
     7.02504578E-02    -1.29597277E-01     1.10136455E-01    -5.38881143E-03
    -3.74760353E-02     1.16116294E-03     9.15808117E-03 Bm  1.99821099E+00
    -6.60670581E-02    -1.98733673E-01     2.71155429E-01    -5.05698442E-03
    -4.22470061E-02    -6.71951624E-02    -1.00856945E-01    -2.60165393E-02
     2.18655175E-01    -9.06079873E-02 BP  4.96539974E+00     1.47837919E-04
    -5.83868471E-05    -1.00247845E-04     4.01508619E-05    -4.24625852E-05
     1.64452525E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.89901651E+00     4.35281929E-03     2.25860080E-03    -4.94592075E-03
     5.49690851E-03    -3.76368411E-03     1.53680574E-03    -3.29435390E-04
     2.79552571E-05     7.95252187E-03     1.31415584E-03    -4.37443315E-03
     6.50047834E-03    -5.30076097E-03     2.37658577E-03    -5.40862742E-04
     4.90612665E-05 JX  3.81035730E+00    -1.97888130E-02     4.39219242E-03
     1.22061108E-02    -1.53884445E-02     6.93425004E-03    -1.06157792E-03
 Jf  3.02450127E+00    -1.25852688E-04     6.29806509E-04    -9.11737444E-04
    -2.87057213E-03     1.35107914E-03    -6.39185209E-04    -7.63495724E-04
    -5.01296825E-04    -9.62103019E-05    -5.07181445E-04     4.74591880E-04
     1.00551663E-03    -1.63622308E-03     2.72142616E-04     1.31046497E-03
    -4.72073774E-04     2.30442170E-04     2.88706381E-04    -1.63949905E-04
    -7.41412309E-05     2.34259054E-04     1.45343445E-04    -5.62940382E-05
    -1.52630078E-04     8.60984289E-05    -4.81642590E-05    -6.46051336E-05
    -3.06924807E-03     2.52233832E-03     2.82818325E-03    -1.92111825E-03
     5.15627517E-04     3.66871122E-03     2.74425737E-03    -9.20464133E-04
    -3.06610726E-04     1.88238899E-03    -1.08628935E-03    -1.45382108E-03
     9.64406971E-04    -2.56658201E-04     3.71117222E-05    -6.47874708E-05
     1.51287492E-03    -1.77376544E-03     4.41449581E-04     3.29441534E-03
    -1.08910343E-03     9.46870794E-06     5.50564083E-04    -7.28149931E-05
     2.22111812E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.704281E+00 ->   1.693385E+00
           Unreweighted mean energy (a.u.)  :  -1.138402E+02 ->  -1.138435E+02


 Writing parameters to correlation.out.5.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 3
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.60531951E-01    -4.38966007E-03     2.57871584E-01    -9.90649454E-01
     1.24079687E+00     4.64637656E-01    -2.47047984E+00     2.09148433E+00
    -5.79588010E-01     1.39506513E+00     3.13186799E-03    -2.31914947E-02
     8.06947519E-02    -1.70784438E-01     2.56794055E-01    -3.44320374E-01
     3.86492510E-01    -2.60405044E-01     7.15927464E-02 Bm  1.97806523E+00
    -1.22693473E-01     1.65438809E-02    -1.94132436E-02     1.12481362E-01
    -4.37023934E-02    -1.14506852E-01     1.73387330E-02    -6.27415255E-03
     6.72209942E-02    -2.61536682E-02 BP  4.86192543E+00     2.01299543E-04
    -7.81733948E-05    -1.84961889E-04     7.26266079E-05    -3.76561630E-05
     1.42503717E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.80751475E+00     4.69106674E-03     3.27134611E-03    -8.41955958E-03
     1.06052789E-02    -7.72479016E-03     3.21353338E-03    -6.94130628E-04
     5.99203266E-05     8.49601573E-03     1.60486275E-03    -5.49249215E-03
     8.29906971E-03    -6.82469990E-03     3.06705453E-03    -6.99684638E-04
     6.37961023E-05 JX  3.80779872E+00    -1.99819572E-02     4.83226329E-03
     1.17493702E-02    -1.53363650E-02     6.99514238E-03    -1.07574477E-03
 Jf  3.07511573E+00    -1.08832170E-04     3.95263414E-04    -8.35264208E-04
    -2.11152875E-03     1.10686597E-03    -5.30657284E-04    -3.10995928E-04
    -8.24669466E-04    -6.46440576E-05    -5.37332732E-04     7.42914428E-04
     6.94331662E-04    -1.61004631E-03     1.80027632E-04     1.45686279E-03
    -4.08283799E-04     1.85534985E-04     2.74959981E-04    -2.00021761E-04
    -1.09241387E-04     4.72349669E-04     5.65937577E-05    -2.81758645E-05
    -1.37871229E-04     6.50426243E-05    -3.58863592E-05    -6.05933979E-05
    -2.77590710E-03     2.17955459E-03     2.68508208E-03    -1.73563148E-03
     4.89801740E-04     3.33689298E-03     2.17587925E-03    -8.17131192E-04
    -2.88984231E-04     1.77804273E-03    -9.91674635E-04    -1.40370963E-03
     8.10507099E-04     1.05064712E-05     1.63494216E-05    -6.19212308E-05
     1.33984222E-03    -1.57780703E-03     3.59535119E-04     2.96445614E-03
    -9.49327388E-04     1.40376060E-05     4.39977043E-04    -5.95906799E-05
     2.01644349E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.693385E+00 ->   1.662809E+00
           Unreweighted mean energy (a.u.)  :  -1.138435E+02 ->  -1.138403E+02


 Writing parameters to correlation.out.5.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 3

 Current parameters:
 Be  8.41466114E-01    -4.46032109E-03     2.37055052E-01    -6.73092916E-01
     5.96215647E-02     1.66717642E+00    -9.85914397E-01    -1.52801726E+00
     1.29048174E+00     1.41644240E+00     3.32593048E-03    -2.70523046E-02
     1.06738513E-01    -2.43543667E-01     3.23677770E-01    -2.66573054E-01
     1.64373310E-01    -8.45231017E-02     2.35636634E-02 Bm  1.98129819E+00
    -1.33399983E-01     7.82469206E-02    -1.39887456E-01     1.99962506E-01
    -6.76079471E-02    -1.24390001E-01     7.77712545E-02    -1.34578284E-01
     1.71538643E-01    -5.65693084E-02 BP  5.24191808E+00     1.67406085E-04
    -6.45361823E-05    -2.29692560E-04     8.66910590E-05     2.79263479E-06
    -4.72552554E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67775275E+00     5.23825758E-03     3.97663227E-03    -1.05063203E-02
     1.34587235E-02    -9.86720126E-03     4.08812997E-03    -8.73325992E-04
     7.42463187E-05     9.42279047E-03     2.07239911E-03    -7.44734274E-03
     1.17746301E-02    -1.00578951E-02     4.67286379E-03    -1.10389223E-03
     1.04590263E-04 JX  3.79623806E+00    -2.02052964E-02     4.79649934E-03
     1.14355066E-02    -1.48490904E-02     6.78145672E-03    -1.04472021E-03
 Jf  3.12916868E+00    -9.03493625E-05     3.12150259E-04    -7.21325346E-04
    -1.69945645E-03     8.93205273E-04    -4.16419515E-04    -2.59725728E-04
    -8.08652294E-04    -6.57142026E-05    -4.60828380E-04     6.71538072E-04
     5.93429832E-04    -1.49308565E-03     1.46072322E-04     1.37977092E-03
    -3.41580727E-04     1.39453932E-04     2.39285844E-04    -1.81367559E-04
    -9.84169311E-05     4.44361109E-04     6.32086006E-05    -2.47376203E-05
    -1.57680354E-04     5.81704988E-05    -2.69495184E-05    -4.94630101E-05
    -2.45410747E-03     1.93537679E-03     2.30772572E-03    -1.50930121E-03
     4.28480693E-04     2.95170080E-03     1.98211567E-03    -7.24936938E-04
    -2.49823191E-04     1.55261519E-03    -9.33031187E-04    -1.14530126E-03
     7.05389842E-04    -1.01144669E-04     2.70450462E-05    -5.59224486E-05
     1.16596129E-03    -1.35802505E-03     2.98842324E-04     2.56512265E-03
    -8.31874102E-04     1.34452366E-05     4.03677271E-04    -5.54408428E-05
     1.80865545E-05

 Rejected step:
 Variance  :   1.662809E+00 ->   1.713161E+00
 Energy    :  -1.138403E+02 ->  -1.138392E+02

 Current parameters:
 Be  9.43623705E-01    -4.46329006E-03     2.69369118E-01    -1.03245325E+00
     1.24368929E+00     6.21872034E-01    -2.61941987E+00     2.00790545E+00
    -4.69798584E-01     1.41576126E+00     3.07612575E-03    -2.24772151E-02
     7.92231591E-02    -1.74185778E-01     2.67232134E-01    -3.34226357E-01
     3.34212572E-01    -2.06980531E-01     5.41435642E-02 Bm  1.98196435E+00
    -1.31691783E-01     7.03106096E-02    -1.26148257E-01     1.90709607E-01
    -6.55216816E-02    -1.22397552E-01     6.91569082E-02    -1.20388380E-01
     1.62388281E-01    -5.45574412E-02 BP  5.03217255E+00     1.76931979E-04
    -6.84504560E-05    -1.64029674E-04     6.37871212E-05    -2.96793805E-05
     1.13205105E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70164646E+00     5.16759846E-03     3.48926248E-03    -8.94808898E-03
     1.11932310E-02    -8.12984421E-03     3.36419283E-03    -7.18777052E-04
     6.10036107E-05     9.26406088E-03     1.79548562E-03    -6.23375604E-03
     9.62893941E-03    -8.15635063E-03     3.78371066E-03    -8.94012218E-04
     8.48328209E-05 JX  3.79553032E+00    -2.02462253E-02     4.80654766E-03
     1.15919793E-02    -1.50357666E-02     6.85830629E-03    -1.05563150E-03
 Jf  3.12080562E+00    -9.21018648E-05     3.35127681E-04    -7.39917169E-04
    -1.78345815E-03     9.34393084E-04    -4.40120219E-04    -2.92267589E-04
    -8.16971587E-04    -7.30648280E-05    -4.71094220E-04     6.82197156E-04
     6.53791795E-04    -1.57808418E-03     1.65972478E-04     1.47169028E-03
    -3.72058779E-04     1.52513366E-04     2.58472265E-04    -2.06603104E-04
    -8.86537920E-05     4.78844539E-04     6.31292322E-05    -2.79037129E-05
    -1.76398390E-04     6.66445554E-05    -3.07185825E-05    -5.09904869E-05
    -2.51462973E-03     2.00774891E-03     2.35096074E-03    -1.56000749E-03
     4.41697532E-04     3.01331492E-03     2.08436304E-03    -7.46459186E-04
    -2.53657046E-04     1.60836376E-03    -9.18390588E-04    -1.26744844E-03
     7.67705056E-04    -2.73108496E-05    -7.81833876E-07    -4.97574851E-05
     1.21318792E-03    -1.43432343E-03     3.27005861E-04     2.71907889E-03
    -8.82288471E-04     1.09323016E-05     4.12794599E-04    -5.01692977E-05
     1.57448989E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.662809E+00 ->   1.649349E+00
           Unreweighted mean energy (a.u.)  :  -1.138403E+02 ->  -1.138380E+02


 Writing parameters to correlation.out.5.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 6
 NL2SOL iteration     : 4

 Current parameters:
 Be  9.08537127E-01    -4.59220945E-03     2.82806887E-01    -1.03700519E+00
     1.01641864E+00     1.12392904E+00    -2.53287755E+00     1.00631253E+00
     1.89109967E-01     1.42213668E+00     3.10587358E-03    -2.30400132E-02
     8.30488155E-02    -1.85330469E-01     2.81340735E-01    -3.33544870E-01
     3.11258278E-01    -1.83215674E-01     4.63776867E-02 Bm  1.95724231E+00
    -1.38364006E-01     9.41979014E-02    -1.64686566E-01     2.16026753E-01
    -7.07640600E-02    -1.25279616E-01     7.61637679E-02    -1.26522953E-01
     1.62035667E-01    -5.26471998E-02 BP  5.11429360E+00     1.67877009E-04
    -6.49324484E-05    -1.57144176E-04     6.11900674E-05    -2.62639047E-05
     9.98073982E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.74827941E+00     5.01955294E-03     3.46098947E-03    -8.96923925E-03
     1.14963118E-02    -8.52485153E-03     3.58186670E-03    -7.75603109E-04
     6.68196282E-05     8.95959432E-03     1.95443866E-03    -6.76654397E-03
     1.05238233E-02    -8.93095474E-03     4.15065032E-03    -9.85264044E-04
     9.41207456E-05 JX  3.79838896E+00    -2.01490241E-02     4.95405795E-03
     1.13756075E-02    -1.49244729E-02     6.82557429E-03    -1.05298427E-03
 Jf  3.17183483E+00    -8.05356402E-05     2.61249401E-04    -6.74241994E-04
    -1.44334393E-03     7.84695106E-04    -3.61312111E-04    -1.99232633E-04
    -8.65672193E-04    -6.52146297E-05    -4.24396314E-04     6.62092427E-04
     5.77810662E-04    -1.46389190E-03     1.21924343E-04     1.45272244E-03
    -3.37464794E-04     1.30470873E-04     2.37679619E-04    -2.05861119E-04
    -7.88743390E-05     4.58803477E-04     6.41816727E-05    -2.22906700E-05
    -1.98596481E-04     6.58322713E-05    -2.78041932E-05    -4.41959192E-05
    -2.25341350E-03     1.79029775E-03     2.08371249E-03    -1.38616753E-03
     3.99537520E-04     2.71398371E-03     1.88155386E-03    -6.66097641E-04
    -2.31451838E-04     1.46202040E-03    -8.36161162E-04    -1.10088521E-03
     6.85333745E-04    -7.88362313E-05     8.66690378E-06    -4.84832064E-05
     1.08025947E-03    -1.27946575E-03     2.84219451E-04     2.43165431E-03
    -7.99177603E-04     1.19398017E-05     3.87974715E-04    -4.88999779E-05
     1.52071283E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.649349E+00 ->   1.641985E+00
           Unreweighted mean energy (a.u.)  :  -1.138380E+02 ->  -1.138388E+02


 Writing parameters to correlation.out.5.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m7s]

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 4
 Function evaluations : 11
 Variance reduced to  : 0.16419855E+01

 Writing parameters to correlation.out.5.


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 6
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m9s remaining]
  DTVMC #1:   1.4366E-01 (optimized)
  DTVMC #2:   1.1748E-01 (optimized)
 Done. [total CPU time: 5m6s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.6534
 Acceptance ratio #2 <level 1>        (%)  =  51.7272
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9241
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0187
 Diffusion constant #1           (Bohr^2)  = 1.0877E-02
 Diffusion constant #2           (Bohr^2)  = 8.8483E-03
 Correlation time                 (steps)  = 4.0679E+00 +- 5.0610E-01
 Efficiency                  (au^-2 s^-1)  = 1.3000E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.830006829212
  Standard error                        +/-           0.018510095988

  Kinetic energy KEI (used in Total) (au) =         134.827422242175
  Standard error                        +/-           1.407342374729

  Kinetic energy TI                  (au) =         124.058470571697
  Standard error                        +/-           0.837065498597

  Kinetic energy FISQ                (au) =         113.289518901218
  Standard error                        +/-           0.895198992323

  Potential energy                   (au) =        -290.549015553227
  Standard error                        +/-           1.406574866719

  e-e interaction                    (au) =          78.878613728021
  Standard error                        +/-           0.113897923528

  e-n interaction                    (au) =        -369.427629281248
  Standard error                        +/-           1.472803101330

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.578274115068
  Standard error                        +/-           0.084876340287

  Maximum distance from origin       (au) =           8.454066655538

  Particles affected per move       (%) :  99.9025


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  52.1805
 Acceptance ratio #2 <level 1>        (%)  =  51.8870
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.5122
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1435
 Diffusion constant #1           (Bohr^2)  = 1.0664E-02
 Diffusion constant #2           (Bohr^2)  = 8.9493E-03
 Correlation time                 (steps)  = 3.8798E+00 +- 6.2272E-01
 Efficiency                  (au^-2 s^-1)  = 5.2136E+01
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.772303982117
  Standard error                        +/-           0.031378787659

  Kinetic energy KEI (used in Total) (au) =         118.407490180917
  Standard error                        +/-           1.886381384489

  Kinetic energy TI                  (au) =         115.764504011126
  Standard error                        +/-           1.002395013734

  Kinetic energy FISQ                (au) =         113.121517841334
  Standard error                        +/-           0.523541567690

  Potential energy                   (au) =        -274.071380644875
  Standard error                        +/-           1.869080113430

  e-e interaction                    (au) =          78.249958119018
  Standard error                        +/-           0.103976272866

  e-n interaction                    (au) =        -352.321338763893
  Standard error                        +/-           1.882554300771

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           4.951660897336
  Standard error                        +/-           1.471054733021

  Maximum distance from origin       (au) =           7.464391945233

  Particles affected per move       (%) :  99.9423


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.7812
 Acceptance ratio #2 <level 1>        (%)  =  51.8882
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0040
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0824
 Diffusion constant #1           (Bohr^2)  = 1.1073E-02
 Diffusion constant #2           (Bohr^2)  = 8.9577E-03
 Correlation time                 (steps)  = 3.8146E+00 +- 4.3556E-01
 Efficiency                  (au^-2 s^-1)  = 1.5402E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.836660353107
  Standard error                        +/-           0.018863618699

  Kinetic energy KEI (used in Total) (au) =         122.018650531085
  Standard error                        +/-           1.089815710914

  Kinetic energy TI                  (au) =         118.435277799178
  Standard error                        +/-           0.772809093479

  Kinetic energy FISQ                (au) =         114.851905067270
  Standard error                        +/-           1.050851682332

  Potential energy                   (au) =        -277.746897366033
  Standard error                        +/-           1.091320259817

  e-e interaction                    (au) =          78.667476455576
  Standard error                        +/-           0.113835484046

  e-n interaction                    (au) =        -356.414373821609
  Standard error                        +/-           1.136715102503

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.420641334351
  Standard error                        +/-           0.076355114762

  Maximum distance from origin       (au) =           6.956973376392

  Particles affected per move       (%) :  99.8827


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.6743
 Acceptance ratio #2 <level 1>        (%)  =  51.8620
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9121
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1747
 Diffusion constant #1           (Bohr^2)  = 1.0795E-02
 Diffusion constant #2           (Bohr^2)  = 9.3820E-03
 Correlation time                 (steps)  = 3.7293E+00 +- 4.2832E-01
 Efficiency                  (au^-2 s^-1)  = 2.0566E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.873623676957
  Standard error                        +/-           0.015229998532

  Kinetic energy KEI (used in Total) (au) =         112.446171778368
  Standard error                        +/-           1.132007141866

  Kinetic energy TI                  (au) =         113.204532141636
  Standard error                        +/-           0.614230368599

  Kinetic energy FISQ                (au) =         113.962892504903
  Standard error                        +/-           0.527307208834

  Potential energy                   (au) =        -268.211381937166
  Standard error                        +/-           1.132301457801

  e-e interaction                    (au) =          77.597553668703
  Standard error                        +/-           0.088976721670

  e-n interaction                    (au) =        -345.808935605869
  Standard error                        +/-           1.145610176097

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.305938811047
  Standard error                        +/-           0.079504439975

  Maximum distance from origin       (au) =           7.445853117847

  Particles affected per move       (%) :  99.8722


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.8760
 Acceptance ratio #2 <level 1>        (%)  =  51.4664
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2336
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7529
 Diffusion constant #1           (Bohr^2)  = 1.0866E-02
 Diffusion constant #2           (Bohr^2)  = 9.3860E-03
 Correlation time                 (steps)  = 3.5407E+00 +- 3.6067E-01
 Efficiency                  (au^-2 s^-1)  = 2.2261E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.812949644695
  Standard error                        +/-           0.017452572430

  Kinetic energy KEI (used in Total) (au) =         115.024132340642
  Standard error                        +/-           1.131260131059

  Kinetic energy TI                  (au) =         113.896132724624
  Standard error                        +/-           0.625784184769

  Kinetic energy FISQ                (au) =         112.768133108606
  Standard error                        +/-           0.487955994363

  Potential energy                   (au) =        -270.728668467178
  Standard error                        +/-           1.131909749820

  e-e interaction                    (au) =          77.895771052089
  Standard error                        +/-           0.106541524016

  e-n interaction                    (au) =        -348.624439519267
  Standard error                        +/-           1.153467554753

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.270736776956
  Standard error                        +/-           0.062853070802

  Maximum distance from origin       (au) =           8.538216447647

  Particles affected per move       (%) :  99.8668


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.8331
 Acceptance ratio #2 <level 1>        (%)  =  51.8957
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1428
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1186
 Diffusion constant #1           (Bohr^2)  = 1.0685E-02
 Diffusion constant #2           (Bohr^2)  = 9.0322E-03
 Correlation time                 (steps)  = 3.7986E+00 +- 4.2223E-01
 Efficiency                  (au^-2 s^-1)  = 1.5167E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.837718175731
  Standard error                        +/-           0.017126098217

  Kinetic energy KEI (used in Total) (au) =         121.481452188011
  Standard error                        +/-           1.073003807623

  Kinetic energy TI                  (au) =         117.044464010849
  Standard error                        +/-           0.585555971861

  Kinetic energy FISQ                (au) =         112.607475833688
  Standard error                        +/-           0.513963839377

  Potential energy                   (au) =        -277.210756845582
  Standard error                        +/-           1.073822049520

  e-e interaction                    (au) =          77.788251084999
  Standard error                        +/-           0.103221382073

  e-n interaction                    (au) =        -354.999007930581
  Standard error                        +/-           1.104872364837

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.448726807111
  Standard error                        +/-           0.140123815571

  Maximum distance from origin       (au) =           7.936576291778

  Particles affected per move       (%) :  99.8268


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.6883
 Acceptance ratio #2 <level 1>        (%)  =  51.7173
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9381
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9825
 Diffusion constant #1           (Bohr^2)  = 1.1324E-02
 Diffusion constant #2           (Bohr^2)  = 9.1868E-03
 Correlation time                 (steps)  = 5.6272E+00 +- 8.1851E-01
 Efficiency                  (au^-2 s^-1)  = 1.3585E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.796496298543
  Standard error                        +/-           0.016176211280

  Kinetic energy KEI (used in Total) (au) =         126.120111112082
  Standard error                        +/-           1.124955259496

  Kinetic energy TI                  (au) =         119.400714261443
  Standard error                        +/-           0.650895543453

  Kinetic energy FISQ                (au) =         112.681317410803
  Standard error                        +/-           0.748951316786

  Potential energy                   (au) =        -281.808193892465
  Standard error                        +/-           1.121307517225

  e-e interaction                    (au) =          78.704651387729
  Standard error                        +/-           0.107577309347

  e-n interaction                    (au) =        -360.512845280195
  Standard error                        +/-           1.164945421567

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.310218042028
  Standard error                        +/-           0.051728607329

  Maximum distance from origin       (au) =           7.711084408156

  Particles affected per move       (%) :  99.9275


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.7841
 Acceptance ratio #2 <level 1>        (%)  =  51.8321
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0280
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1198
 Diffusion constant #1           (Bohr^2)  = 1.0935E-02
 Diffusion constant #2           (Bohr^2)  = 9.4833E-03
 Correlation time                 (steps)  = 3.8336E+00 +- 4.3807E-01
 Efficiency                  (au^-2 s^-1)  = 2.1646E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.795212155552
  Standard error                        +/-           0.013927680894

  Kinetic energy KEI (used in Total) (au) =         107.473651483586
  Standard error                        +/-           0.779402589738

  Kinetic energy TI                  (au) =         110.600687613373
  Standard error                        +/-           0.541538886719

  Kinetic energy FISQ                (au) =         113.727723743159
  Standard error                        +/-           0.811618175404

  Potential energy                   (au) =        -263.160450120979
  Standard error                        +/-           0.777571642583

  e-e interaction                    (au) =          77.973377439920
  Standard error                        +/-           0.099883321767

  e-n interaction                    (au) =        -341.133827560900
  Standard error                        +/-           0.805655797982

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.206975239492
  Standard error                        +/-           0.054270170228

  Maximum distance from origin       (au) =           7.810847698194

  Particles affected per move       (%) :  99.8797


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.7202
 Acceptance ratio #2 <level 1>        (%)  =  52.3625
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9830
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.6752
 Diffusion constant #1           (Bohr^2)  = 1.0759E-02
 Diffusion constant #2           (Bohr^2)  = 8.9060E-03
 Correlation time                 (steps)  = 3.0022E+00 +- 2.8654E-01
 Efficiency                  (au^-2 s^-1)  = 1.1965E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.793209890631
  Standard error                        +/-           0.021797154615

  Kinetic energy KEI (used in Total) (au) =         101.445894003991
  Standard error                        +/-           0.991773880217

  Kinetic energy TI                  (au) =         107.714877959312
  Standard error                        +/-           0.651660484390

  Kinetic energy FISQ                (au) =         113.983861914633
  Standard error                        +/-           0.836580436267

  Potential energy                   (au) =        -257.130690376462
  Standard error                        +/-           0.989465775594

  e-e interaction                    (au) =          77.413161289518
  Standard error                        +/-           0.111651137096

  e-n interaction                    (au) =        -334.543851665980
  Standard error                        +/-           1.044136614350

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.323645889299
  Standard error                        +/-           0.882268012945

  Maximum distance from origin       (au) =           8.033751751441

  Particles affected per move       (%) :  99.8022


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.9379
 Acceptance ratio #2 <level 1>        (%)  =  51.6249
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2107
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9301
 Diffusion constant #1           (Bohr^2)  = 1.1226E-02
 Diffusion constant #2           (Bohr^2)  = 9.0773E-03
 Correlation time                 (steps)  = 3.6228E+00 +- 3.7931E-01
 Efficiency                  (au^-2 s^-1)  = 2.2003E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.854774680161
  Standard error                        +/-           0.015650141635

  Kinetic energy KEI (used in Total) (au) =         104.950688361335
  Standard error                        +/-           0.944979282527

  Kinetic energy TI                  (au) =         110.401676844064
  Standard error                        +/-           1.442362030642

  Kinetic energy FISQ                (au) =         115.852665326793
  Standard error                        +/-           2.774815410648

  Potential energy                   (au) =        -260.697049523337
  Standard error                        +/-           0.944752578224

  e-e interaction                    (au) =          77.791102825455
  Standard error                        +/-           0.111679645209

  e-n interaction                    (au) =        -338.488152348792
  Standard error                        +/-           0.972127736831

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.256529280071
  Standard error                        +/-           0.054947141560

  Maximum distance from origin       (au) =           7.001877182914

  Particles affected per move       (%) :  99.9271


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.820295568671 +/- 0.006074340008      No correction
 -113.820295568671 +/- 0.011983040438      Correlation time method
 -113.820295568670 +/- 0.012223076285      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.820295568670 +/-       0.012223076285
    stderr:      0.012223076285 +/-       0.001248732561
    errfac:      2.007635201974 +/-       0.205103804351
    N_corr:      4.030599104207 +/-       0.823547235348
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   6.088295E-03   7.696228E-05
            2   7.148837E-03   1.278209E-04
            4   8.799145E-03   2.225671E-04
            8   1.058762E-02   3.789761E-04
           16   1.214338E-02   6.154960E-04
           32   1.368454E-02   9.834436E-04
           64   1.222308E-02   1.248733E-03  *** BEST ***
          128   1.216846E-02   1.776726E-03
          256   9.930881E-03   2.095798E-03
          512   1.013676E-02   3.169819E-03
         1024   3.463460E-03   1.707717E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.807334719276 +- 0.364146534050

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ==================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 6
 ==================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  9.08537127E-01    -4.59220945E-03     2.82806887E-01    -1.03700519E+00
     1.01641864E+00     1.12392904E+00    -2.53287755E+00     1.00631253E+00
     1.89109967E-01     1.42213668E+00     3.10587358E-03    -2.30400132E-02
     8.30488155E-02    -1.85330469E-01     2.81340735E-01    -3.33544870E-01
     3.11258278E-01    -1.83215674E-01     4.63776867E-02 Bm  1.95724231E+00
    -1.38364006E-01     9.41979014E-02    -1.64686566E-01     2.16026753E-01
    -7.07640600E-02    -1.25279616E-01     7.61637679E-02    -1.26522953E-01
     1.62035667E-01    -5.26471998E-02 BP  5.11429360E+00     1.67877009E-04
    -6.49324484E-05    -1.57144176E-04     6.11900674E-05    -2.62639047E-05
     9.98073982E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.74827941E+00     5.01955294E-03     3.46098947E-03    -8.96923925E-03
     1.14963118E-02    -8.52485153E-03     3.58186670E-03    -7.75603109E-04
     6.68196282E-05     8.95959432E-03     1.95443866E-03    -6.76654397E-03
     1.05238233E-02    -8.93095474E-03     4.15065032E-03    -9.85264044E-04
     9.41207456E-05 JX  3.79838896E+00    -2.01490241E-02     4.95405795E-03
     1.13756075E-02    -1.49244729E-02     6.82557429E-03    -1.05298427E-03
 Jf  3.17183483E+00    -8.05356402E-05     2.61249401E-04    -6.74241994E-04
    -1.44334393E-03     7.84695106E-04    -3.61312111E-04    -1.99232633E-04
    -8.65672193E-04    -6.52146297E-05    -4.24396314E-04     6.62092427E-04
     5.77810662E-04    -1.46389190E-03     1.21924343E-04     1.45272244E-03
    -3.37464794E-04     1.30470873E-04     2.37679619E-04    -2.05861119E-04
    -7.88743390E-05     4.58803477E-04     6.41816727E-05    -2.22906700E-05
    -1.98596481E-04     6.58322713E-05    -2.78041932E-05    -4.41959192E-05
    -2.25341350E-03     1.79029775E-03     2.08371249E-03    -1.38616753E-03
     3.99537520E-04     2.71398371E-03     1.88155386E-03    -6.66097641E-04
    -2.31451838E-04     1.46202040E-03    -8.36161162E-04    -1.10088521E-03
     6.85333745E-04    -7.88362313E-05     8.66690378E-06    -4.84832064E-05
     1.08025947E-03    -1.27946575E-03     2.84219451E-04     2.43165431E-03
    -7.99177603E-04     1.19398017E-05     3.87974715E-04    -4.88999779E-05
     1.52071283E-05

    Unreweighted variance of energy (a.u.)  :   2.081375E+00
           Unreweighted mean energy (a.u.)  :  -1.138112E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.25750122E-01    -4.76981600E-03     2.79025504E-01    -9.71625418E-01
     1.00152011E+00     7.89313670E-01    -2.41469575E+00     1.69140879E+00
    -3.37749567E-01     1.41800619E+00     2.90116839E-03    -2.28095020E-02
     7.98417746E-02    -1.68725705E-01     2.70540902E-01    -3.55613453E-01
     3.24605727E-01    -1.64599308E-01     3.37574294E-02 Bm  1.61759626E+00
     1.11120243E-01    -4.25665596E-01     5.50221536E-01    -3.62143083E-01
     1.49357930E-01     9.03059208E-02    -5.18740006E-01     8.04909786E-01
    -6.01074530E-01     2.09330445E-01 BP  5.66712364E+00     1.09423559E-04
    -4.27406026E-05    -1.05927178E-04     4.03940980E-05    -1.54968016E-05
     6.14470217E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.76290568E+00     4.99016300E-03     2.97339532E-03    -6.47783801E-03
     5.32432826E-03    -2.33153803E-03     6.41244093E-04    -1.14973968E-04
     1.05183294E-05     8.92266956E-03     2.76643904E-03    -9.11203673E-03
     1.29736723E-02    -1.00939320E-02     4.31954668E-03    -9.46621898E-04
     8.39527681E-05 JX  3.69830843E+00    -2.07380724E-02     2.83139177E-03
     9.07357015E-03    -1.27507365E-02     6.66466187E-03    -1.13284462E-03
 Jf  3.08708845E+00    -8.44239120E-05    -5.45218982E-04    -5.86763113E-04
     5.21604290E-04     1.49636626E-04    -6.65360904E-05     1.32454107E-03
    -1.34196504E-03     1.13250732E-04    -7.66001682E-04     1.37274959E-03
    -5.16219040E-04    -1.19883189E-03     5.10251405E-05     1.37137799E-03
    -2.43303750E-04     7.13134389E-05     1.63389013E-04    -6.46127741E-05
    -2.64636652E-04     9.57137086E-04    -2.55497572E-04     3.35329726E-05
     8.54298740E-05    -5.73116891E-07    -8.24399621E-06    -5.98957916E-05
    -2.72038889E-03     2.24172960E-03     2.90966756E-03    -2.01685663E-03
     6.54047298E-04     3.16417905E-03     2.33128975E-03    -7.54700869E-04
    -2.33452653E-04     1.62827690E-03    -1.21883143E-03    -1.31769900E-03
     8.46286427E-04    -4.42680274E-05     5.81542998E-05    -9.87479201E-05
     1.17100854E-03    -1.40344367E-03     3.18758905E-04     2.96032649E-03
    -9.86436227E-04     1.44608020E-05     4.24082434E-04    -5.28795639E-05
     2.05713769E-05

 Rejected step:
 Variance  :   2.081375E+00 ->   2.218688E+01
 Energy    :  -1.138112E+02 ->  -1.137204E+02

 Current parameters:
 Be  9.40113996E-01    -4.86009243E-03     2.76423302E-01    -9.37094547E-01
     8.68674790E-01     9.25879979E-01    -2.06886823E+00     8.15940258E-01
     1.76644378E-01     1.42111804E+00     2.75913047E-03    -2.22697720E-02
     8.39521376E-02    -1.86795175E-01     2.80987942E-01    -3.34539364E-01
     3.13924963E-01    -1.83182390E-01     4.51594248E-02 Bm  1.70544493E+00
     1.88303869E-02    -1.18850950E-01     5.06091228E-02     6.97143461E-02
    -8.80319196E-03    -8.49205091E-04    -1.99667454E-01     2.57124875E-01
    -1.24725072E-01     4.26641164E-02 BP  5.10951885E+00     1.68090575E-04
    -6.50644407E-05    -1.58962597E-04     6.12669106E-05    -2.61388314E-05
     1.02392496E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.74151850E+00     5.04405172E-03     3.21383239E-03    -8.68933670E-03
     1.10339179E-02    -8.29354168E-03     3.61217386E-03    -8.19796610E-04
     7.45361290E-05     8.96684845E-03     2.18654526E-03    -7.28726954E-03
     1.10085800E-02    -9.12141716E-03     4.12396368E-03    -9.51127223E-04
     8.87270593E-05 JX  3.67998636E+00    -2.15662166E-02     3.36043959E-03
     9.31010118E-03    -1.34873722E-02     6.99654219E-03    -1.17763300E-03
 Jf  3.13800324E+00    -7.32066382E-05     5.42576912E-05    -7.28392638E-04
    -7.65492347E-04     6.27084597E-04    -2.62266023E-04     1.15488594E-04
    -1.07156222E-03    -6.39519118E-05    -4.74482759E-04     6.64258770E-04
     5.17638542E-04    -1.38605414E-03     1.02933802E-04     1.53116954E-03
    -3.58136862E-04     1.27832401E-04     2.61198205E-04    -1.73989330E-04
    -8.20944811E-05     4.30788239E-04     3.87840106E-05    -1.71282565E-05
    -1.75434424E-04     6.63825151E-05    -2.91082690E-05    -6.04755997E-05
    -2.31974879E-03     1.82253629E-03     2.22177763E-03    -1.50833428E-03
     4.42765358E-04     2.72077403E-03     1.88604473E-03    -6.93215950E-04
    -2.46257172E-04     1.45292633E-03    -8.83112918E-04    -1.13107232E-03
     6.89642900E-04    -3.86606448E-05     2.45565413E-05    -5.39911941E-05
     1.08084255E-03    -1.25016095E-03     2.70066844E-04     2.45932709E-03
    -8.09551816E-04     1.40924724E-05     3.69149093E-04    -4.66112714E-05
     1.40181577E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.081375E+00 ->   1.737183E+00
           Unreweighted mean energy (a.u.)  :  -1.138112E+02 ->  -1.138304E+02


 Writing parameters to correlation.out.6.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.36202464E-01    -4.85620869E-03     2.83129915E-01    -9.57856128E-01
     8.70357572E-01     9.49698060E-01    -2.08501926E+00     8.84045109E-01
     1.04313377E-01     1.43793110E+00     2.76874787E-03    -2.24205899E-02
     8.32329215E-02    -1.80612808E-01     2.66889818E-01    -3.15808688E-01
     2.93305403E-01    -1.67794078E-01     4.04380354E-02 Bm  1.77089887E+00
    -5.52228498E-02     2.02890860E-01    -5.67850122E-01     6.26956052E-01
    -1.87863214E-01    -5.31926966E-02     6.97871228E-02    -2.95335985E-01
     3.89661112E-01    -1.23645941E-01 BP  5.10663486E+00     1.68247627E-04
    -6.50551292E-05    -1.60136408E-04     6.13737259E-05    -2.62166679E-05
     1.03702475E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72529721E+00     5.09101856E-03     3.12480455E-03    -8.30790038E-03
     1.05953221E-02    -8.11001808E-03     3.62776326E-03    -8.47021315E-04
     7.91333762E-05     9.11210263E-03     2.37066955E-03    -7.88226449E-03
     1.15506756E-02    -9.28870019E-03     4.09171301E-03    -9.21392423E-04
     8.40848901E-05 JX  3.61548762E+00    -2.27212090E-02     3.43485641E-03
     7.88355040E-03    -1.33703739E-02     7.56816027E-03    -1.33780342E-03
 Jf  3.16135100E+00    -7.21317103E-05    -7.96965773E-05    -7.40732213E-04
    -2.76131805E-04     4.90365456E-04    -1.93079210E-04     3.69681078E-04
    -1.24397325E-03    -2.48836698E-05    -5.00989426E-04     7.07360633E-04
     3.93798085E-04    -1.29749075E-03     7.53588707E-05     1.60471036E-03
    -3.69846199E-04     1.27050237E-04     2.39135854E-04    -1.48847217E-04
    -8.94408106E-05     4.45484452E-04     6.73062491E-06    -1.04677258E-05
    -1.69109875E-04     6.82454597E-05    -3.01063515E-05    -5.47257107E-05
    -2.31473183E-03     1.84046064E-03     2.42348155E-03    -1.64615796E-03
     5.33345956E-04     2.70618682E-03     1.88232012E-03    -6.64180012E-04
    -2.26553347E-04     1.43343739E-03    -9.29308982E-04    -1.14492456E-03
     6.99610409E-04     3.14761208E-06     4.18945555E-05    -7.98738606E-05
     1.03987238E-03    -1.23174333E-03     2.72620944E-04     2.49080648E-03
    -8.18890549E-04     1.27635672E-05     3.45911431E-04    -4.29341514E-05
     1.68881778E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.737183E+00 ->   1.709412E+00
           Unreweighted mean energy (a.u.)  :  -1.138304E+02 ->  -1.138311E+02


 Writing parameters to correlation.out.6.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 3

 Current parameters:
 Be  9.33767721E-01    -5.04894457E-03     2.90529502E-01    -9.70996404E-01
     8.66915894E-01     9.59567516E-01    -2.09452079E+00     9.38062946E-01
     5.65416157E-02     1.46075932E+00     2.80601886E-03    -2.27096777E-02
     8.23582496E-02    -1.72590594E-01     2.48930100E-01    -2.92476515E-01
     2.67942246E-01    -1.48936696E-01     3.46401608E-02 Bm  1.89435868E+00
    -7.31767786E-02     2.78093843E-01    -6.91176108E-01     7.48974497E-01
    -2.36343604E-01    -6.65574612E-02     1.29516534E-01    -3.87647470E-01
     4.77062367E-01    -1.58043455E-01 BP  5.09696865E+00     1.69128373E-04
    -6.53698427E-05    -1.61854298E-04     6.19952544E-05    -2.66023059E-05
     1.05242689E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72164209E+00     5.05210253E-03     3.12504118E-03    -8.15240904E-03
     1.03198126E-02    -7.91805337E-03     3.59220554E-03    -8.55496462E-04
     8.16745690E-05     9.15857250E-03     2.59386417E-03    -8.43309125E-03
     1.20528461E-02    -9.45599051E-03     4.07699469E-03    -8.99749097E-04
     8.04943883E-05 JX  3.57204241E+00    -2.31177082E-02     3.45928864E-03
     8.70924631E-03    -1.58216736E-02     9.22170694E-03    -1.65866442E-03
 Jf  3.16878373E+00    -7.35521450E-05    -2.12811982E-04    -7.05405367E-04
     1.19433170E-04     3.45698066E-04    -1.20569900E-04     6.23960066E-04
    -1.37742260E-03     8.62355546E-06    -5.28650621E-04     7.87438592E-04
     2.12433217E-04    -1.22227780E-03     4.20132945E-05     1.69106470E-03
    -3.69682250E-04     1.19719214E-04     2.16234750E-04    -1.24587401E-04
    -1.12299294E-04     5.01029434E-04    -3.13310861E-05    -8.36116611E-07
    -1.68987364E-04     6.73387696E-05    -2.90217389E-05    -5.04061231E-05
    -2.34243833E-03     1.88027114E-03     2.61915116E-03    -1.77712828E-03
     6.11517070E-04     2.72016653E-03     1.90163272E-03    -6.52525996E-04
    -2.00157719E-04     1.40144498E-03    -9.80170512E-04    -1.15011031E-03
     7.12400002E-04     3.57154966E-05     5.24966209E-05    -9.88084526E-05
     1.01412415E-03    -1.21700389E-03     2.76899526E-04     2.50995073E-03
    -8.26093114E-04     1.10178524E-05     3.28785526E-04    -3.97565201E-05
     1.88969432E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.709412E+00 ->   1.693457E+00
           Unreweighted mean energy (a.u.)  :  -1.138311E+02 ->  -1.138316E+02


 Writing parameters to correlation.out.6.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 6
 NL2SOL iteration     : 4

 Current parameters:
 Be  9.32770273E-01    -5.21821870E-03     2.94861152E-01    -9.76194139E-01
     8.63683106E-01     9.60789366E-01    -2.09714545E+00     9.69611644E-01
     2.99888208E-02     1.50388830E+00     2.86433783E-03    -2.28308413E-02
     7.94916955E-02    -1.58269132E-01     2.19984912E-01    -2.53578362E-01
     2.25904920E-01    -1.20251228E-01     2.66191217E-02 Bm  2.29430791E+00
    -3.41308730E-02     8.77790664E-02    -3.19274338E-01     4.32052497E-01
    -1.52806609E-01    -4.02908068E-02     1.08296260E-02    -1.49649011E-01
     2.67332786E-01    -1.02667642E-01 BP  5.09489001E+00     1.69120967E-04
    -6.53456532E-05    -1.62441800E-04     6.21735797E-05    -2.67305226E-05
     1.05825687E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72582772E+00     5.13509237E-03     3.36135368E-03    -8.67090613E-03
     1.05234541E-02    -7.76321632E-03     3.43393459E-03    -8.06379152E-04
     7.64265320E-05     9.19584604E-03     2.75002637E-03    -8.83784660E-03
     1.23499194E-02    -9.54272846E-03     4.07575215E-03    -8.91952883E-04
     7.90424544E-05 JX  3.55854125E+00    -2.37682883E-02     2.07587674E-03
     1.25340713E-02    -1.96629346E-02     1.09680742E-02    -1.93762243E-03
 Jf  3.17685038E+00    -7.21322393E-05    -3.13246426E-04    -6.44454363E-04
     3.65338299E-04     2.30137418E-04    -7.18946160E-05     7.90329737E-04
    -1.42350723E-03     3.37213326E-05    -5.33700106E-04     8.59106056E-04
    -6.06019053E-06    -1.22204379E-03     2.74537772E-05     1.73045914E-03
    -3.49402164E-04     1.03441212E-04     1.76190706E-04    -8.69869215E-05
    -1.47867140E-04     5.86043457E-04    -6.08300286E-05     6.20023345E-06
    -1.59690155E-04     6.02326685E-05    -2.46903213E-05    -4.65745977E-05
    -2.32431337E-03     1.91611878E-03     2.61088220E-03    -1.83099217E-03
     6.49693055E-04     2.66027987E-03     1.99639436E-03    -6.43679681E-04
    -1.66734106E-04     1.34186373E-03    -1.02994054E-03    -1.15565623E-03
     7.35912745E-04     1.57565152E-05     5.92664878E-05    -1.10143125E-04
     9.81262392E-04    -1.18698978E-03     2.75195886E-04     2.50859261E-03
    -8.23762666E-04     7.08242493E-06     3.19855732E-04    -3.74809619E-05
     2.02166688E-05

 Rejected step:
 Variance  :   1.693457E+00 ->   5.640584E+00
 Energy    :  -1.138316E+02 ->  -1.139040E+02

 Current parameters:
 Be  9.32433598E-01    -5.06365291E-03     2.91547581E-01    -9.75151541E-01
     8.71677418E-01     9.66213394E-01    -2.11247777E+00     9.48155488E-01
     5.78704793E-02     1.51546469E+00     2.76355818E-03    -2.18345823E-02
     7.65863058E-02    -1.54590740E-01     2.14819734E-01    -2.43410841E-01
     2.14894475E-01    -1.15117983E-01     2.58378879E-02 Bm  2.05969947E+00
    -6.26890062E-02     1.73738311E-01    -4.26032411E-01     5.00677241E-01
    -1.73335532E-01    -6.34822570E-02     7.50194369E-02    -2.28318412E-01
     3.18979767E-01    -1.18895751E-01 BP  5.09789967E+00     1.69032138E-04
    -6.53212839E-05    -1.61749372E-04     6.19355693E-05    -2.65743878E-05
     1.05148763E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72315380E+00     5.12475362E-03     3.08608554E-03    -8.13153675E-03
     1.03150522E-02    -7.91971732E-03     3.59134134E-03    -8.54734653E-04
     8.15464746E-05     9.20367537E-03     2.57232529E-03    -8.45213720E-03
     1.20732145E-02    -9.45999537E-03     4.07563012E-03    -8.99028051E-04
     8.04135379E-05 JX  3.56479962E+00    -2.37566119E-02     3.11113443E-03
     9.01653289E-03    -1.57436326E-02     9.26194708E-03    -1.68417948E-03
 Jf  3.17208046E+00    -7.07323072E-05    -2.13947036E-04    -7.03161562E-04
     1.26396416E-04     3.50570065E-04    -1.24057829E-04     6.34490287E-04
    -1.37869503E-03     8.54243387E-06    -5.28925099E-04     7.85076716E-04
     2.07098800E-04    -1.22301561E-03     4.18384873E-05     1.69183871E-03
    -3.69690055E-04     1.18897818E-04     2.17222583E-04    -1.24200613E-04
    -1.13087380E-04     5.03057197E-04    -3.16547121E-05    -6.03421416E-07
    -1.69361820E-04     6.72770813E-05    -2.87020326E-05    -4.87494485E-05
    -2.34111076E-03     1.88031549E-03     2.62055041E-03    -1.77483232E-03
     6.12413048E-04     2.71910460E-03     1.90483521E-03    -6.51971373E-04
    -2.01209872E-04     1.39904902E-03    -9.79987009E-04    -1.15174667E-03
     7.13223441E-04     3.53241254E-05     5.28780812E-05    -9.93809943E-05
     1.01486650E-03    -1.21596009E-03     2.75310092E-04     2.51073205E-03
    -8.25955237E-04     1.11164402E-05     3.27483514E-04    -3.98120153E-05
     1.91876028E-05

 Rejected step:
 Variance  :   1.693457E+00 ->   1.847151E+00
 Energy    :  -1.138316E+02 ->  -1.138263E+02

 Current parameters:
 Be  9.31964701E-01    -5.05073625E-03     2.91652403E-01    -9.76639193E-01
     8.73659849E-01     9.68923945E-01    -2.11887333E+00     9.50985164E-01
     5.76690389E-02     1.48925607E+00     2.80272400E-03    -2.22777289E-02
     7.92351472E-02    -1.62872572E-01     2.30416229E-01    -2.65544815E-01
     2.38614882E-01    -1.30096195E-01     2.96798870E-02 Bm  1.93246366E+00
    -7.25081136E-02     2.60906769E-01    -6.42980304E-01     6.73727499E-01
    -2.11691299E-01    -6.69074274E-02     1.22801780E-01    -3.60507494E-01
     4.27685251E-01    -1.42964782E-01 BP  5.09731484E+00     1.69093967E-04
    -6.53520376E-05    -1.61810425E-04     6.19741986E-05    -2.65932548E-05
     1.05199995E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72079517E+00     5.04385204E-03     3.12252796E-03    -8.14985321E-03
     1.03204169E-02    -7.91834454E-03     3.59192800E-03    -8.55580988E-04
     8.16691139E-05     9.15551605E-03     2.59251172E-03    -8.42953235E-03
     1.20536813E-02    -9.45639315E-03     4.07671430E-03    -8.99802620E-04
     8.05078682E-05 JX  3.57243590E+00    -2.32642653E-02     3.45805159E-03
     8.74590535E-03    -1.58110547E-02     9.22151160E-03    -1.66130009E-03
 Jf  3.16830758E+00    -7.04016517E-05    -2.11487805E-04    -7.05659773E-04
     1.21637125E-04     3.45544159E-04    -1.21967175E-04     6.24787950E-04
    -1.37647328E-03     8.71374493E-06    -5.27688909E-04     7.87326859E-04
     2.12094237E-04    -1.22248550E-03     4.20207733E-05     1.69094332E-03
    -3.69743219E-04     1.19559833E-04     2.16467974E-04    -1.24722432E-04
    -1.12519766E-04     5.00700773E-04    -3.13291688E-05    -7.94032811E-07
    -1.69005861E-04     6.73428996E-05    -2.90258123E-05    -4.84409955E-05
    -2.34127939E-03     1.87980394E-03     2.62104919E-03    -1.77726285E-03
     6.10469164E-04     2.72104027E-03     1.90252550E-03    -6.52965165E-04
    -1.99151236E-04     1.40122121E-03    -9.80679778E-04    -1.15023669E-03
     7.12433804E-04     3.56980963E-05     5.24733321E-05    -9.89175652E-05
     1.01437428E-03    -1.21723393E-03     2.76559767E-04     2.50964239E-03
    -8.26080857E-04     1.10626250E-05     3.28758992E-04    -3.97551742E-05
     1.88903552E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.693457E+00 ->   1.686178E+00
           Unreweighted mean energy (a.u.)  :  -1.138316E+02 ->  -1.138291E+02


 Writing parameters to correlation.out.6.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 9
 NL2SOL iteration     : 5

 Current parameters:
 Be  9.31392135E-01    -5.05520194E-03     2.92028464E-01    -9.78390326E-01
     8.75899943E-01     9.72032974E-01    -2.12655732E+00     9.55168536E-01
     5.77737223E-02     1.52421820E+00     2.79124572E-03    -2.17638868E-02
     7.56472613E-02    -1.51919451E-01     2.09989560E-01    -2.36456945E-01
     2.07601356E-01    -1.10590877E-01     2.46506410E-02 Bm  1.93512122E+00
    -7.51931295E-02     2.65257360E-01    -6.46272461E-01     6.65831891E-01
    -2.05723371E-01    -7.01131602E-02     1.27771988E-01    -3.64550323E-01
     4.20876470E-01    -1.36730385E-01 BP  5.09787486E+00     1.69037934E-04
    -6.53232694E-05    -1.61740792E-04     6.19398003E-05    -2.65784580E-05
     1.05132184E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72285554E+00     5.07880785E-03     3.12172421E-03    -8.14656332E-03
     1.03207337E-02    -7.91872501E-03     3.59162053E-03    -8.55603501E-04
     8.17122615E-05     9.18271453E-03     2.59383723E-03    -8.42342824E-03
     1.20548848E-02    -9.45717893E-03     4.07639938E-03    -8.99775869E-04
     8.05580250E-05 JX  3.56916747E+00    -2.34409748E-02     3.44839596E-03
     8.83356243E-03    -1.57804574E-02     9.22523205E-03    -1.66858444E-03
 Jf  3.16902266E+00    -6.97701077E-05    -2.09403797E-04    -7.05267910E-04
     1.24585800E-04     3.45888399E-04    -1.22977272E-04     6.26476625E-04
    -1.37656879E-03     8.66008779E-06    -5.27476526E-04     7.87151431E-04
     2.11771127E-04    -1.22287159E-03     4.20258619E-05     1.69068919E-03
    -3.69796983E-04     1.19423707E-04     2.16387412E-04    -1.24774336E-04
    -1.12836875E-04     5.00343943E-04    -3.13348815E-05    -7.27166641E-07
    -1.68964666E-04     6.73859692E-05    -2.89603903E-05    -4.75171004E-05
    -2.34026044E-03     1.87953828E-03     2.62381076E-03    -1.77672141E-03
     6.10676885E-04     2.72211557E-03     1.90255791E-03    -6.53200845E-04
    -1.98723230E-04     1.40085655E-03    -9.81041761E-04    -1.15019139E-03
     7.12556386E-04     3.56421140E-05     5.24959781E-05    -9.89039668E-05
     1.01422487E-03    -1.21740987E-03     2.75635015E-04     2.50971331E-03
    -8.26041648E-04     1.11197991E-05     3.28623129E-04    -3.97588967E-05
     1.89254499E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.686178E+00 ->   1.682038E+00
           Unreweighted mean energy (a.u.)  :  -1.138291E+02 ->  -1.138288E+02


 Writing parameters to correlation.out.6.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 10
 NL2SOL iteration     : 6

 Current parameters:
 Be  9.31614657E-01    -5.06145002E-03     2.91916987E-01    -9.77595883E-01
     8.75235255E-01     9.71113673E-01    -2.12325354E+00     9.53699748E-01
     5.73137921E-02     1.57079931E+00     2.77851154E-03    -2.11073270E-02
     7.12368501E-02    -1.38800902E-01     1.86163339E-01    -2.03419364E-01
     1.73293989E-01    -8.95796967E-02     1.93734371E-02 Bm  1.92028245E+00
    -7.61436716E-02     2.78658442E-01    -6.74818572E-01     6.88545231E-01
    -2.08995800E-01    -7.13384536E-02     1.37387595E-01    -3.82852245E-01
     4.33911610E-01    -1.37460726E-01 BP  5.09944072E+00     1.68881953E-04
    -6.52429697E-05    -1.61544066E-04     6.18443014E-05    -2.65374718E-05
     1.04940413E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72334073E+00     5.09239997E-03     3.11431195E-03    -8.14831614E-03
     1.03204435E-02    -7.91852965E-03     3.59161567E-03    -8.55586970E-04
     8.17254019E-05     9.18873932E-03     2.58662949E-03    -8.42035090E-03
     1.20558736E-02    -9.45751523E-03     4.07630500E-03    -8.99738305E-04
     8.05762022E-05 JX  3.56984489E+00    -2.35565945E-02     3.42213956E-03
     8.86143410E-03    -1.57702315E-02     9.22857718E-03    -1.67120381E-03
 Jf  3.17013036E+00    -7.13001306E-05    -2.09102130E-04    -7.04713191E-04
     1.24682893E-04     3.46278306E-04    -1.23074542E-04     6.26423857E-04
    -1.37751607E-03     9.49040383E-06    -5.28623931E-04     7.86996260E-04
     2.11604051E-04    -1.22291899E-03     4.19540124E-05     1.69078140E-03
    -3.69779783E-04     1.19318376E-04     2.16230068E-04    -1.24720426E-04
    -1.12468960E-04     5.00613419E-04    -3.13706210E-05    -7.42371550E-07
    -1.68857002E-04     6.74074630E-05    -2.89556484E-05    -4.89670283E-05
    -2.34059471E-03     1.87949907E-03     2.62415003E-03    -1.77637882E-03
     6.11405031E-04     2.72217523E-03     1.90256646E-03    -6.52080286E-04
    -1.99208531E-04     1.40073335E-03    -9.80846293E-04    -1.15007591E-03
     7.12575491E-04     3.56432942E-05     5.25196426E-05    -9.88582593E-05
     1.01376140E-03    -1.21725676E-03     2.75728223E-04     2.51023913E-03
    -8.26044899E-04     1.10934353E-05     3.28502042E-04    -3.97801356E-05
     1.89353228E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.682038E+00 ->   1.680485E+00
           Unreweighted mean energy (a.u.)  :  -1.138288E+02 ->  -1.138298E+02


 Writing parameters to correlation.out.6.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 11
 NL2SOL iteration     : 7

 Current parameters:
 Be  9.30171701E-01    -5.06541236E-03     2.92834869E-01    -9.82100528E-01
     8.80791204E-01     9.78830812E-01    -2.14297802E+00     9.63886213E-01
     5.67954109E-02     1.59624953E+00     2.76197656E-03    -2.07565463E-02
     6.89941554E-02    -1.32268690E-01     1.74565705E-01    -1.87716398E-01
     1.57362073E-01    -8.00463160E-02     1.70377142E-02 Bm  1.93217592E+00
    -8.26676452E-02     2.88221091E-01    -6.61728810E-01     6.59354342E-01
    -1.99299572E-01    -7.72707165E-02     1.47085655E-01    -3.75972990E-01
     4.13360112E-01    -1.30683659E-01 BP  5.09895043E+00     1.68930129E-04
    -6.52679273E-05    -1.61607911E-04     6.18737775E-05    -2.65492677E-05
     1.05006247E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72334740E+00     5.11223098E-03     3.11031973E-03    -8.14568823E-03
     1.03203292E-02    -7.91868668E-03     3.59145827E-03    -8.55578208E-04
     8.17307718E-05     9.19982000E-03     2.58181010E-03    -8.41975394E-03
     1.20572711E-02    -9.45788078E-03     4.07618429E-03    -8.99701243E-04
     8.05701398E-05 JX  3.56597353E+00    -2.37030197E-02     3.36414928E-03
     8.91412777E-03    -1.57421148E-02     9.23560278E-03    -1.67682982E-03
 Jf  3.17080844E+00    -7.08683539E-05    -2.08354199E-04    -7.04300096E-04
     1.26103320E-04     3.47173402E-04    -1.22933170E-04     6.27352985E-04
    -1.37858225E-03     9.50129882E-06    -5.28806804E-04     7.86574016E-04
     2.11114385E-04    -1.22315505E-03     4.18916169E-05     1.69053422E-03
    -3.69818616E-04     1.19224621E-04     2.16143304E-04    -1.24693816E-04
    -1.12314161E-04     5.00950235E-04    -3.14256862E-05    -7.28386942E-07
    -1.68892585E-04     6.74227368E-05    -2.88991760E-05    -4.86326326E-05
    -2.34084777E-03     1.87946712E-03     2.62531893E-03    -1.77585498E-03
     6.12052034E-04     2.72225265E-03     1.90263207E-03    -6.51620126E-04
    -1.99395565E-04     1.40049374E-03    -9.80640934E-04    -1.15032883E-03
     7.12648365E-04     3.52586600E-05     5.25111275E-05    -9.87904231E-05
     1.01340983E-03    -1.21702309E-03     2.75522244E-04     2.51056573E-03
    -8.26048486E-04     1.11110616E-05     3.28229923E-04    -3.97990715E-05
     1.90026487E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.680485E+00 ->   1.679097E+00
           Unreweighted mean energy (a.u.)  :  -1.138298E+02 ->  -1.138295E+02


 Writing parameters to correlation.out.6.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m15s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 12
 NL2SOL iteration     : 8

 Current parameters:
 Be  9.31695153E-01    -5.06743649E-03     2.91878387E-01    -9.77291141E-01
     8.75065292E-01     9.70923103E-01    -2.12193232E+00     9.52927558E-01
     5.55885120E-02     1.56546746E+00     2.76147651E-03    -2.11483567E-02
     7.17370068E-02    -1.40233879E-01     1.88698318E-01    -2.06914139E-01
     1.76866687E-01    -9.17340916E-02     1.99056611E-02 Bm  1.93251699E+00
    -8.90171610E-02     3.02379932E-01    -6.64904013E-01     6.50745170E-01
    -1.95684724E-01    -8.28861277E-02     1.59421902E-01    -3.78983132E-01
     4.05867415E-01    -1.27399428E-01 BP  5.10049760E+00     1.68776070E-04
    -6.51884379E-05    -1.61414935E-04     6.17793697E-05    -2.65090943E-05
     1.04817124E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72340560E+00     5.12369203E-03     3.09912030E-03    -8.14524016E-03
     1.03201750E-02    -7.91848867E-03     3.59143312E-03    -8.55534032E-04
     8.17162507E-05     9.19757240E-03     2.57437306E-03    -8.42465105E-03
     1.20607929E-02    -9.45751738E-03     4.07600660E-03    -8.99725452E-04
     8.05690597E-05 JX  3.56538381E+00    -2.38355805E-02     3.28953148E-03
     8.94219986E-03    -1.57204994E-02     9.24349349E-03    -1.68122665E-03
 Jf  3.17202397E+00    -7.09745785E-05    -2.08620228E-04    -7.03927634E-04
     1.25854635E-04     3.48143741E-04    -1.22732576E-04     6.27992983E-04
    -1.37967079E-03     9.62264339E-06    -5.29105039E-04     7.86028089E-04
     2.10557926E-04    -1.22319618E-03     4.17927845E-05     1.69054984E-03
    -3.69813182E-04     1.19123286E-04     2.16037059E-04    -1.24640663E-04
    -1.12079359E-04     5.01743902E-04    -3.14968656E-05    -7.37960246E-07
    -1.68914893E-04     6.74256710E-05    -2.88593257E-05    -4.95384369E-05
    -2.34176353E-03     1.87958136E-03     2.62516583E-03    -1.77534820E-03
     6.12771485E-04     2.72174430E-03     1.90315344E-03    -6.50568800E-04
    -1.99731759E-04     1.40016620E-03    -9.80127343E-04    -1.15065976E-03
     7.12693584E-04     3.50107413E-05     5.25383209E-05    -9.87719532E-05
     1.01300290E-03    -1.21668366E-03     2.75527759E-04     2.51112425E-03
    -8.26052800E-04     1.11184627E-05     3.27985110E-04    -3.98216542E-05
     1.90480548E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.679097E+00 ->   1.678731E+00
           Unreweighted mean energy (a.u.)  :  -1.138295E+02 ->  -1.138289E+02


 Writing parameters to correlation.out.6.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 13
 NL2SOL iteration     : 9

 Current parameters:
 Be  9.31424926E-01    -5.06609300E-03     2.92036879E-01    -9.78175744E-01
     8.76067096E-01     9.72395226E-01    -2.12547541E+00     9.54968837E-01
     5.52584384E-02     1.57101194E+00     2.75105893E-03    -2.10544364E-02
     7.12383200E-02    -1.38762603E-01     1.86039623E-01    -2.03291033E-01
     1.73157519E-01    -8.94879219E-02     1.93491833E-02 Bm  1.93305146E+00
    -9.44367694E-02     3.13681299E-01    -6.65476435E-01     6.40863065E-01
    -1.91109927E-01    -8.77818944E-02     1.70131911E-01    -3.81052629E-01
     3.97735519E-01    -1.23068090E-01 BP  5.10046940E+00     1.68778515E-04
    -6.51894067E-05    -1.61421572E-04     6.17805803E-05    -2.65093670E-05
     1.04825043E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72322974E+00     5.13506677E-03     3.08900191E-03    -8.14304688E-03
     1.03199025E-02    -7.91829405E-03     3.59142088E-03    -8.55459506E-04
     8.16968605E-05     9.20235724E-03     2.57479318E-03    -8.43174768E-03
     1.20640909E-02    -9.45749502E-03     4.07582661E-03    -8.99686125E-04
     8.05720444E-05 JX  3.56642112E+00    -2.38385580E-02     3.22534577E-03
     8.96802585E-03    -1.56959025E-02     9.25329487E-03    -1.68781957E-03
 Jf  3.17275447E+00    -7.08602224E-05    -2.09091160E-04    -7.03434422E-04
     1.25524063E-04     3.49422321E-04    -1.22482385E-04     6.29115082E-04
    -1.38091305E-03     9.02084576E-06    -5.29097960E-04     7.85490331E-04
     2.09807896E-04    -1.22313783E-03     4.17028007E-05     1.69072800E-03
    -3.69782755E-04     1.19048055E-04     2.16098740E-04    -1.24547096E-04
    -1.11891740E-04     5.02571525E-04    -3.15868643E-05    -7.52507022E-07
    -1.68991972E-04     6.74116237E-05    -2.88166675E-05    -4.96544948E-05
    -2.34254119E-03     1.87984041E-03     2.62463234E-03    -1.77498345E-03
     6.13265565E-04     2.72035429E-03     1.90352148E-03    -6.50012396E-04
    -1.99995033E-04     1.40000226E-03    -9.79544420E-04    -1.15105549E-03
     7.12766602E-04     3.48258265E-05     5.26060362E-05    -9.87475527E-05
     1.01258831E-03    -1.21626826E-03     2.75492632E-04     2.51155981E-03
    -8.26057193E-04     1.11126304E-05     3.27734577E-04    -3.98420116E-05
     1.90978300E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.678731E+00 ->   1.678009E+00
           Unreweighted mean energy (a.u.)  :  -1.138289E+02 ->  -1.138290E+02


 Writing parameters to correlation.out.6.

 Current parameters:
 Be  9.32001746E-01    -5.05019555E-03     2.91507355E-01    -9.76629136E-01
     8.73922694E-01     9.70090086E-01    -2.11624519E+00     9.51642330E-01
     5.13385125E-02     1.57318310E+00     2.72689788E-03    -2.09588353E-02
     7.10468333E-02    -1.38238011E-01     1.84978962E-01    -2.01888357E-01
     1.71758033E-01    -8.86044931E-02     1.91198571E-02 Bm  1.93197116E+00
    -9.97976526E-02     3.17870505E-01    -6.44152878E-01     6.11425216E-01
    -1.81470159E-01    -9.28585160E-02     1.76568220E-01    -3.65708482E-01
     3.72163782E-01    -1.14031599E-01 BP  5.09924461E+00     1.68908313E-04
    -6.52451317E-05    -1.61601585E-04     6.18493610E-05    -2.65429204E-05
     1.04985565E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.71901950E+00     5.19754119E-03     3.07334480E-03    -8.13574910E-03
     1.03188586E-02    -7.91642607E-03     3.59093282E-03    -8.55282154E-04
     8.16699210E-05     9.26649247E-03     2.58100590E-03    -8.46148308E-03
     1.20852057E-02    -9.45896557E-03     4.07436067E-03    -8.99414430E-04
     8.05988701E-05 JX  3.56629620E+00    -2.35468983E-02     2.92913080E-03
     9.14823550E-03    -1.56099554E-02     9.30155994E-03    -1.72223367E-03
 Jf  3.17360544E+00    -6.76661402E-05    -2.11512070E-04    -7.00757128E-04
     1.29324291E-04     3.52036173E-04    -1.22482341E-04     6.35740326E-04
    -1.38492694E-03     8.33760613E-06    -5.31447663E-04     7.84430270E-04
     2.06524655E-04    -1.22200080E-03     4.15505650E-05     1.69232567E-03
    -3.69815491E-04     1.19046044E-04     2.17092942E-04    -1.24102988E-04
    -1.11596901E-04     5.04758805E-04    -3.18941399E-05    -8.56012633E-07
    -1.69381973E-04     6.72307446E-05    -2.85681484E-05    -4.62558546E-05
    -2.34056523E-03     1.88119803E-03     2.62189688E-03    -1.77521104E-03
     6.16414047E-04     2.71536773E-03     1.90382514E-03    -6.49352059E-04
    -2.01917202E-04     1.39906861E-03    -9.77931109E-04    -1.15214098E-03
     7.13399659E-04     3.49654213E-05     5.28333340E-05    -9.90300366E-05
     1.01205740E-03    -1.21529095E-03     2.75403364E-04     2.51207592E-03
    -8.25863044E-04     1.09433831E-05     3.27056669E-04    -3.99165124E-05
     1.93157626E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.678009E+00 ->   1.677235E+00
           Unreweighted mean energy (a.u.)  :  -1.138290E+02 ->  -1.138287E+02


 Writing parameters to correlation.out.6.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m15s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 15
 NL2SOL iteration     : 10

 Current parameters:
 Be  9.30411513E-01    -5.03682585E-03     2.92550302E-01    -9.81953900E-01
     8.79500447E-01     9.78451987E-01    -2.13711845E+00     9.64374946E-01
     5.06381577E-02     1.58103465E+00     2.71220993E-03    -2.08204368E-02
     7.03515906E-02    -1.36230518E-01     1.81299349E-01    -1.96917134E-01
     1.66737952E-01    -8.55462100E-02     1.83478249E-02 Bm  1.91291381E+00
    -9.42689748E-02     3.03698732E-01    -6.28907401E-01     6.02700937E-01
    -1.78160323E-01    -8.88851008E-02     1.62925614E-01    -3.44218968E-01
     3.55248524E-01    -1.08353799E-01 BP  5.09993844E+00     1.68834196E-04
    -6.52072256E-05    -1.61525780E-04     6.18071755E-05    -2.65241197E-05
     1.04919838E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72558551E+00     5.15107344E-03     3.02757250E-03    -8.12369817E-03
     1.03154482E-02    -7.91439513E-03     3.58959686E-03    -8.54821203E-04
     8.15858661E-05     9.18966622E-03     2.58697274E-03    -8.48887886E-03
     1.21081482E-02    -9.46694627E-03     4.07296386E-03    -8.98015268E-04
     8.03685858E-05 JX  3.56498521E+00    -2.39643499E-02     3.11945900E-03
     8.89936474E-03    -1.57256817E-02     9.34180270E-03    -1.70930491E-03
 Jf  3.17575946E+00    -6.97906633E-05    -2.16376734E-04    -6.99251294E-04
     1.33929492E-04     3.53630040E-04    -1.27652104E-04     6.43062476E-04
    -1.38408157E-03     6.05084718E-06    -5.29026440E-04     7.83349038E-04
     1.99360863E-04    -1.22109671E-03     4.10167121E-05     1.69507763E-03
    -3.69362505E-04     1.18647906E-04     2.17953816E-04    -1.23761965E-04
    -1.12175847E-04     5.07843154E-04    -3.26629493E-05    -5.88729200E-07
    -1.69990246E-04     6.71051106E-05    -2.84571668E-05    -4.99540560E-05
    -2.33604071E-03     1.87987291E-03     2.61631717E-03    -1.77612692E-03
     6.15741458E-04     2.70694322E-03     1.90757181E-03    -6.47743582E-04
    -1.97501525E-04     1.39607556E-03    -9.77976450E-04    -1.15493902E-03
     7.14224267E-04     3.58748156E-05     5.37358766E-05    -1.00243750E-04
     1.00874458E-03    -1.21436820E-03     2.75305448E-04     2.51282731E-03
    -8.25712630E-04     1.09003841E-05     3.26520388E-04    -3.98490201E-05
     1.93904887E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.677235E+00 ->   1.676726E+00
           Unreweighted mean energy (a.u.)  :  -1.138287E+02 ->  -1.138292E+02


 Writing parameters to correlation.out.6.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m8s]

 NL2SOL return code : 10
 Exceeded OPT_MAXITER iterations.

 Optimization halted: minimum not reached within target accuracy.

 Iterations           : 10
 Function evaluations : 26
 Variance reduced to  : 0.16767263E+01

 Writing parameters to correlation.out.6.


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 7
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m8s remaining]
  DTVMC #1:   1.4343E-01 (optimized)
  DTVMC #2:   1.1681E-01 (optimized)
 Done. [total CPU time: 5m6s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: good.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.9249
 Acceptance ratio #2 <level 1>        (%)  =  51.7247
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0849
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9301
 Diffusion constant #1           (Bohr^2)  = 1.1054E-02
 Diffusion constant #2           (Bohr^2)  = 9.4724E-03
 Correlation time                 (steps)  = 4.5064E+00 +- 5.7227E-01
 Efficiency                  (au^-2 s^-1)  = 1.3921E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.854444966577
  Standard error                        +/-           0.016840046652

  Kinetic energy KEI (used in Total) (au) =         119.368477149543
  Standard error                        +/-           1.393506265107

  Kinetic energy TI                  (au) =         117.081316980066
  Standard error                        +/-           0.892333274501

  Kinetic energy FISQ                (au) =         114.794156810588
  Standard error                        +/-           1.113293072021

  Potential energy                   (au) =        -275.114508597961
  Standard error                        +/-           1.394885138622

  e-e interaction                    (au) =          77.682616161827
  Standard error                        +/-           0.097867876567

  e-n interaction                    (au) =        -352.797124759788
  Standard error                        +/-           1.425701885379

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.596647844567
  Standard error                        +/-           0.103674686445

  Maximum distance from origin       (au) =           7.884660435403

  Particles affected per move       (%) :  99.9285


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.7242
 Acceptance ratio #2 <level 1>        (%)  =  51.5026
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0050
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.6967
 Diffusion constant #1           (Bohr^2)  = 1.1148E-02
 Diffusion constant #2           (Bohr^2)  = 8.8974E-03
 Correlation time                 (steps)  = 3.5316E+00 +- 3.7249E-01
 Efficiency                  (au^-2 s^-1)  = 2.0755E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.893974136993
  Standard error                        +/-           0.015514008157

  Kinetic energy KEI (used in Total) (au) =         106.530431805922
  Standard error                        +/-           0.881833930163

  Kinetic energy TI                  (au) =         109.942765770915
  Standard error                        +/-           0.713140985375

  Kinetic energy FISQ                (au) =         113.355099735907
  Standard error                        +/-           1.169195779824

  Potential energy                   (au) =        -262.315992424756
  Standard error                        +/-           0.884000595201

  e-e interaction                    (au) =          77.479609280232
  Standard error                        +/-           0.092270899824

  e-n interaction                    (au) =        -339.795601704988
  Standard error                        +/-           0.909285460016

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.138691389579
  Standard error                        +/-           0.039966698629

  Maximum distance from origin       (au) =           7.656890432091

  Particles affected per move       (%) :  99.9203


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.7073
 Acceptance ratio #2 <level 1>        (%)  =  51.6386
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8812
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8465
 Diffusion constant #1           (Bohr^2)  = 1.0839E-02
 Diffusion constant #2           (Bohr^2)  = 9.0610E-03
 Correlation time                 (steps)  = 4.6590E+00 +- 6.0010E-01
 Efficiency                  (au^-2 s^-1)  = 1.6567E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.768895571423
  Standard error                        +/-           0.017023501913

  Kinetic energy KEI (used in Total) (au) =         116.017758472333
  Standard error                        +/-           1.021542337390

  Kinetic energy TI                  (au) =         114.479600916019
  Standard error                        +/-           0.668287621723

  Kinetic energy FISQ                (au) =         112.941443359705
  Standard error                        +/-           0.852651424230

  Potential energy                   (au) =        -271.678240525597
  Standard error                        +/-           1.020497746527

  e-e interaction                    (au) =          77.852000109091
  Standard error                        +/-           0.093488785043

  e-n interaction                    (au) =        -349.530240634687
  Standard error                        +/-           1.028130927795

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.297690264820
  Standard error                        +/-           0.045247849385

  Maximum distance from origin       (au) =           7.913768596281

  Particles affected per move       (%) :  99.8733


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.9119
 Acceptance ratio #2 <level 1>        (%)  =  51.8283
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0899
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0562
 Diffusion constant #1           (Bohr^2)  = 1.1038E-02
 Diffusion constant #2           (Bohr^2)  = 9.2661E-03
 Correlation time                 (steps)  = 3.2398E+00 +- 3.3679E-01
 Efficiency                  (au^-2 s^-1)  = 1.9290E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.829810172918
  Standard error                        +/-           0.016633998292

  Kinetic energy KEI (used in Total) (au) =         106.252219970383
  Standard error                        +/-           0.706802487504

  Kinetic energy TI                  (au) =         109.152628187652
  Standard error                        +/-           0.409316532654

  Kinetic energy FISQ                (au) =         112.053036404921
  Standard error                        +/-           0.370066248184

  Potential energy                   (au) =        -261.973616625141
  Standard error                        +/-           0.708274724007

  e-e interaction                    (au) =          77.796611468562
  Standard error                        +/-           0.088021925201

  e-n interaction                    (au) =        -339.770228093703
  Standard error                        +/-           0.731960989908

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.335569965677
  Standard error                        +/-           0.096024571121

  Maximum distance from origin       (au) =           7.336788738031

  Particles affected per move       (%) :  99.8637


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.9449
 Acceptance ratio #2 <level 1>        (%)  =  51.4464
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1348
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.6605
 Diffusion constant #1           (Bohr^2)  = 1.0981E-02
 Diffusion constant #2           (Bohr^2)  = 9.0585E-03
 Correlation time                 (steps)  = 4.0175E+00 +- 6.4973E-01
 Efficiency                  (au^-2 s^-1)  = 1.2385E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.809589415708
  Standard error                        +/-           0.019626505862

  Kinetic energy KEI (used in Total) (au) =         132.647116007886
  Standard error                        +/-           2.077535169613

  Kinetic energy TI                  (au) =         122.598375777077
  Standard error                        +/-           1.067328490360

  Kinetic energy FISQ                (au) =         112.549635546269
  Standard error                        +/-           0.530949093429

  Potential energy                   (au) =        -288.348291905434
  Standard error                        +/-           2.075741213948

  e-e interaction                    (au) =          78.068691684608
  Standard error                        +/-           0.105990175465

  e-n interaction                    (au) =        -366.416983590043
  Standard error                        +/-           2.105380091717

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.013062109177
  Standard error                        +/-           0.232694467621

  Maximum distance from origin       (au) =           8.121044010720

  Particles affected per move       (%) :  99.8855


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  52.0198
 Acceptance ratio #2 <level 1>        (%)  =  52.1428
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1288
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.3345
 Diffusion constant #1           (Bohr^2)  = 1.1236E-02
 Diffusion constant #2           (Bohr^2)  = 8.9488E-03
 Correlation time                 (steps)  = 3.6146E+00 +- 4.5785E-01
 Efficiency                  (au^-2 s^-1)  = 2.0189E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.863831463394
  Standard error                        +/-           0.015387065720

  Kinetic energy KEI (used in Total) (au) =         106.202822723528
  Standard error                        +/-           1.041010602424

  Kinetic energy TI                  (au) =         111.784086065320
  Standard error                        +/-           2.355636179819

  Kinetic energy FISQ                (au) =         117.365349407113
  Standard error                        +/-           4.596759618784

  Potential energy                   (au) =        -261.958240668762
  Standard error                        +/-           1.042277995894

  e-e interaction                    (au) =          77.435451604196
  Standard error                        +/-           0.090622395679

  e-n interaction                    (au) =        -339.393692272958
  Standard error                        +/-           1.068340729019

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.372488016192
  Standard error                        +/-           0.090472264250

  Maximum distance from origin       (au) =           8.207189395229

  Particles affected per move       (%) :  99.8621


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.5944
 Acceptance ratio #2 <level 1>        (%)  =  51.5575
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7524
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7317
 Diffusion constant #1           (Bohr^2)  = 1.0761E-02
 Diffusion constant #2           (Bohr^2)  = 8.7846E-03
 Correlation time                 (steps)  = 3.8151E+00 +- 4.2355E-01
 Efficiency                  (au^-2 s^-1)  = 1.3182E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.873748366895
  Standard error                        +/-           0.019518019690

  Kinetic energy KEI (used in Total) (au) =         123.993939677062
  Standard error                        +/-           1.417341864842

  Kinetic energy TI                  (au) =         118.391720316716
  Standard error                        +/-           0.759565628667

  Kinetic energy FISQ                (au) =         112.789500956371
  Standard error                        +/-           0.562310620060

  Potential energy                   (au) =        -279.759274525797
  Standard error                        +/-           1.417663656436

  e-e interaction                    (au) =          78.085525231109
  Standard error                        +/-           0.094662169871

  e-n interaction                    (au) =        -357.844799756906
  Standard error                        +/-           1.448541520429

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.659683357833
  Standard error                        +/-           0.271832432614

  Maximum distance from origin       (au) =           7.848337962787

  Particles affected per move       (%) :  99.9119


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.8940
 Acceptance ratio #2 <level 1>        (%)  =  51.7884
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0958
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0250
 Diffusion constant #1           (Bohr^2)  = 1.1379E-02
 Diffusion constant #2           (Bohr^2)  = 8.8821E-03
 Correlation time                 (steps)  = 3.9041E+00 +- 4.9178E-01
 Efficiency                  (au^-2 s^-1)  = 1.7095E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.831785918134
  Standard error                        +/-           0.017553321249

  Kinetic energy KEI (used in Total) (au) =         119.978534867055
  Standard error                        +/-           1.138137433689

  Kinetic energy TI                  (au) =         116.619170501471
  Standard error                        +/-           0.648193494166

  Kinetic energy FISQ                (au) =         113.259806135887
  Standard error                        +/-           0.508717181364

  Potential energy                   (au) =        -275.701907267029
  Standard error                        +/-           1.132532120438

  e-e interaction                    (au) =          78.091949764433
  Standard error                        +/-           0.110370803335

  e-n interaction                    (au) =        -353.793857031462
  Standard error                        +/-           1.153371194749

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.500748363720
  Standard error                        +/-           0.109731025261

  Maximum distance from origin       (au) =           8.143166119662

  Particles affected per move       (%) :  99.8403


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.5964
 Acceptance ratio #2 <level 1>        (%)  =  52.1241
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7863
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.3207
 Diffusion constant #1           (Bohr^2)  = 1.1248E-02
 Diffusion constant #2           (Bohr^2)  = 9.0919E-03
 Correlation time                 (steps)  = 4.1678E+00 +- 5.0627E-01
 Efficiency                  (au^-2 s^-1)  = 1.6492E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.810327477791
  Standard error                        +/-           0.017623725998

  Kinetic energy KEI (used in Total) (au) =         122.043820636109
  Standard error                        +/-           1.412118056825

  Kinetic energy TI                  (au) =         118.879231600343
  Standard error                        +/-           1.452971899090

  Kinetic energy FISQ                (au) =         115.714642564577
  Standard error                        +/-           2.545773854960

  Potential energy                   (au) =        -277.745734595740
  Standard error                        +/-           1.408699405921

  e-e interaction                    (au) =          78.005925717166
  Standard error                        +/-           0.096596411361

  e-n interaction                    (au) =        -355.751660312906
  Standard error                        +/-           1.431055196012

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.457167596863
  Standard error                        +/-           0.064715445557

  Maximum distance from origin       (au) =           7.740266494841

  Particles affected per move       (%) :  99.8832


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.9848
 Acceptance ratio #2 <level 1>        (%)  =  51.8807
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2776
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9401
 Diffusion constant #1           (Bohr^2)  = 1.0888E-02
 Diffusion constant #2           (Bohr^2)  = 8.9702E-03
 Correlation time                 (steps)  = 3.6362E+00 +- 3.9536E-01
 Efficiency                  (au^-2 s^-1)  = 1.6938E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.886359222675
  Standard error                        +/-           0.016134552459

  Kinetic energy KEI (used in Total) (au) =         112.804630771283
  Standard error                        +/-           0.886040809886

  Kinetic energy TI                  (au) =         112.666300398742
  Standard error                        +/-           0.514358951560

  Kinetic energy FISQ                (au) =         112.527970026200
  Standard error                        +/-           0.464393908261

  Potential energy                   (au) =        -268.582576475799
  Standard error                        +/-           0.885280333605

  e-e interaction                    (au) =          77.694265804111
  Standard error                        +/-           0.112109434957

  e-n interaction                    (au) =        -346.276842279910
  Standard error                        +/-           0.927959829454

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.355194608198
  Standard error                        +/-           0.140021097959

  Maximum distance from origin       (au) =           7.655374747253

  Particles affected per move       (%) :  99.8838


 Time taken in block    : : :        6.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.842276671251 +/- 0.005454326168      No correction
 -113.842276671251 +/- 0.010784152704      Correlation time method
 -113.842276671251 +/- 0.011402652621      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.842276671251 +/-       0.011402652621
    stderr:      0.011402652621 +/-       0.001164916530
    errfac:      2.078792354959 +/-       0.212373353505
    N_corr:      4.321377655035 +/-       0.882960207326
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.485229E-03   6.933891E-05
            2   6.585599E-03   1.177503E-04
            4   7.825005E-03   1.979270E-04
            8   8.813942E-03   3.154886E-04
           16   1.030058E-02   5.220924E-04
           32   1.051417E-02   7.556039E-04
           64   1.140265E-02   1.164917E-03  *** BEST ***
          128   1.374985E-02   2.007624E-03
          256   1.138015E-02   2.401650E-03
          512   1.367868E-02   4.277396E-03
         1024   1.448658E-02   7.142851E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.472694351663 +- 0.076607932836

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ==================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 7
 ==================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  9.30411513E-01    -5.03682585E-03     2.92550302E-01    -9.81953900E-01
     8.79500447E-01     9.78451987E-01    -2.13711845E+00     9.64374946E-01
     5.06381577E-02     1.58103465E+00     2.71220993E-03    -2.08204368E-02
     7.03515906E-02    -1.36230518E-01     1.81299349E-01    -1.96917134E-01
     1.66737952E-01    -8.55462100E-02     1.83478249E-02 Bm  1.91291381E+00
    -9.42689748E-02     3.03698732E-01    -6.28907401E-01     6.02700937E-01
    -1.78160323E-01    -8.88851008E-02     1.62925614E-01    -3.44218968E-01
     3.55248524E-01    -1.08353799E-01 BP  5.09993844E+00     1.68834196E-04
    -6.52072256E-05    -1.61525780E-04     6.18071755E-05    -2.65241197E-05
     1.04919838E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72558551E+00     5.15107344E-03     3.02757250E-03    -8.12369817E-03
     1.03154482E-02    -7.91439513E-03     3.58959686E-03    -8.54821203E-04
     8.15858661E-05     9.18966622E-03     2.58697274E-03    -8.48887886E-03
     1.21081482E-02    -9.46694627E-03     4.07296386E-03    -8.98015268E-04
     8.03685858E-05 JX  3.56498521E+00    -2.39643499E-02     3.11945900E-03
     8.89936474E-03    -1.57256817E-02     9.34180270E-03    -1.70930491E-03
 Jf  3.17575946E+00    -6.97906633E-05    -2.16376734E-04    -6.99251294E-04
     1.33929492E-04     3.53630040E-04    -1.27652104E-04     6.43062476E-04
    -1.38408157E-03     6.05084718E-06    -5.29026440E-04     7.83349038E-04
     1.99360863E-04    -1.22109671E-03     4.10167121E-05     1.69507763E-03
    -3.69362505E-04     1.18647906E-04     2.17953816E-04    -1.23761965E-04
    -1.12175847E-04     5.07843154E-04    -3.26629493E-05    -5.88729200E-07
    -1.69990246E-04     6.71051106E-05    -2.84571668E-05    -4.99540560E-05
    -2.33604071E-03     1.87987291E-03     2.61631717E-03    -1.77612692E-03
     6.15741458E-04     2.70694322E-03     1.90757181E-03    -6.47743582E-04
    -1.97501525E-04     1.39607556E-03    -9.77976450E-04    -1.15493902E-03
     7.14224267E-04     3.58748156E-05     5.37358766E-05    -1.00243750E-04
     1.00874458E-03    -1.21436820E-03     2.75305448E-04     2.51282731E-03
    -8.25712630E-04     1.09003841E-05     3.26520388E-04    -3.98490201E-05
     1.93904887E-05

    Unreweighted variance of energy (a.u.)  :   1.486889E+00
           Unreweighted mean energy (a.u.)  :  -1.138422E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m5s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.35466228E-01    -4.01579911E-03     2.19794150E-01    -7.65784190E-01
     8.19425727E-01     6.08280771E-01    -2.10764888E+00     1.75505166E+00
    -5.26945275E-01     1.72020834E+00     1.22344795E-03    -1.14818993E-02
     4.28254082E-02    -9.19596894E-02     1.32521518E-01    -1.36680956E-01
     9.84224106E-02    -4.32618963E-02     8.40958364E-03 Bm  1.72199420E+00
    -1.11718932E-01    -1.81624704E-01     4.03296695E-01    -3.38433487E-01
     1.38680777E-01    -1.35108643E-01     2.91413081E-02    -2.25016332E-02
     4.47108135E-02     8.01480903E-03 BP  5.40654730E+00     1.23189487E-04
    -4.79549614E-05    -1.22116588E-04     4.69113797E-05    -1.47330087E-05
     5.94878179E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67681906E+00     5.41379216E-03     2.06844954E-03    -4.95653401E-03
     4.61615303E-03    -2.92510522E-03     1.26883614E-03    -3.00772214E-04
     2.84422858E-05     9.56347768E-03     4.00033449E-03    -1.17886012E-02
     1.55895368E-02    -1.16234013E-02     4.86909604E-03    -1.05789878E-03
     9.34359274E-05 JX  3.53296613E+00    -2.43235517E-02     2.78058639E-03
     2.03576850E-02    -2.78828945E-02     1.38893303E-02    -2.28540267E-03
 Jf  3.14082837E+00    -1.09831296E-04     9.02864396E-05    -3.53600159E-04
    -1.34511774E-03     5.10908620E-04    -1.97530472E-04     4.75877931E-04
    -1.63714835E-05     8.63264582E-05    -4.72078717E-04     5.56074275E-04
    -6.72386987E-04    -3.51946012E-04     1.42927760E-04     1.82851924E-04
    -1.19878343E-04     4.34617047E-05    -3.00867324E-05     2.08935452E-04
    -2.29086492E-04     3.72987397E-04    -1.62800937E-04     7.27792272E-06
     1.91550107E-04    -2.28319622E-05     2.29828489E-06    -3.07532960E-05
    -2.62050960E-03     2.27754473E-03     2.83209503E-03    -2.06725612E-03
     7.60855837E-04     3.08240621E-03     2.61302054E-03    -6.60382044E-04
    -1.77398045E-04     1.51279192E-03    -1.47235862E-03    -9.10583753E-04
     8.21435282E-04    -5.82878205E-04     1.49439152E-04    -1.41929270E-04
     1.02497757E-03    -1.24891099E-03     2.58399405E-04     2.77049857E-03
    -9.91689113E-04     2.08123654E-05     5.62854858E-04    -9.24518184E-05
     3.74620440E-05

 Rejected step:
 Variance  :   1.486889E+00 ->   1.487319E+00
 Energy    :  -1.138422E+02 ->  -1.138640E+02

 Current parameters:
 Be  9.35208733E-01    -4.35399441E-03     2.42241321E-01    -8.35591112E-01
     8.39190584E-01     7.34390882E-01    -2.10071749E+00     1.46469448E+00
    -3.37327133E-01     1.73194439E+00     1.34563420E-03    -1.26910481E-02
     4.65365333E-02    -9.53253468E-02     1.29261010E-01    -1.29056056E-01
     9.45615055E-02    -4.33839153E-02     8.77275912E-03 Bm  1.73061443E+00
    -1.11850935E-01    -1.66605403E-01     3.64745599E-01    -2.93794861E-01
     1.19964735E-01    -1.33617277E-01     3.35769024E-02    -3.52620286E-02
     5.98430482E-02     8.67284512E-04 BP  5.28531589E+00     1.45475828E-04
    -5.62800159E-05    -1.36095784E-04     5.23236456E-05    -2.05194092E-05
     8.08300299E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67278617E+00     5.41058008E-03     2.40968906E-03    -6.92556519E-03
     8.42076058E-03    -6.37382293E-03     2.88340587E-03    -6.78511472E-04
     6.33368985E-05     9.57837979E-03     3.79907531E-03    -1.09925090E-02
     1.43404156E-02    -1.06075685E-02     4.42005299E-03    -9.56295453E-04
     8.42194801E-05 JX  3.53934869E+00    -2.42675066E-02     2.86351715E-03
     1.97506897E-02    -2.69394975E-02     1.34099594E-02    -2.20675836E-03
 Jf  3.15157686E+00    -1.06864846E-04     1.34786396E-04    -5.62784652E-04
    -1.21010346E-03     6.05845781E-04    -2.42650277E-04     3.92989626E-04
    -6.46913960E-04     5.87240858E-05    -4.97299716E-04     6.47941223E-04
    -3.29991480E-04    -8.48543318E-04     1.01656784E-04     1.04085305E-03
    -2.74643999E-04     9.27091882E-05     4.21889824E-05     1.03235244E-04
    -2.04629244E-04     4.40540464E-04    -7.69955356E-05     6.44902366E-07
    -1.99903653E-05     2.75599151E-05    -1.35854181E-05    -2.98094534E-05
    -2.54293444E-03     2.12995012E-03     2.80319560E-03    -1.96015010E-03
     7.17798508E-04     3.00035966E-03     2.28915041E-03    -6.50604883E-04
    -1.86037826E-04     1.49690488E-03    -1.32146904E-03    -1.02532991E-03
     7.66169993E-04    -2.63360799E-04     8.90350532E-05    -1.18117729E-04
     1.02190558E-03    -1.24365761E-03     2.58720660E-04     2.67975212E-03
    -9.16839339E-04     1.75459732E-05     4.56318461E-04    -6.85183340E-05
     2.95002240E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.486889E+00 ->   1.361394E+00
           Unreweighted mean energy (a.u.)  :  -1.138422E+02 ->  -1.138549E+02


 Writing parameters to correlation.out.7.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.18591152E-01    -4.17246894E-03     2.32827595E-01    -8.13266757E-01
     8.56930053E-01     6.96660269E-01    -2.27911704E+00     1.83530697E+00
    -5.25847885E-01     1.70989464E+00     1.29336521E-03    -1.16704510E-02
     4.26844414E-02    -9.07194239E-02     1.33658386E-01    -1.43087467E-01
     1.03176646E-01    -4.29999179E-02     7.63996680E-03 Bm  1.71964777E+00
    -2.19010812E-01     4.74667186E-01    -1.06857350E+00     1.05817285E+00
    -3.31687593E-01    -2.00155269E-01     3.37810682E-01    -6.34023384E-01
     5.83288968E-01    -1.72939577E-01 BP  5.49070442E+00     1.21630323E-04
    -4.71105415E-05    -1.14869377E-04     4.41527035E-05    -1.55099634E-05
     6.12418408E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.64242959E+00     5.50474948E-03     2.41940071E-03    -5.85709531E-03
     5.83354962E-03    -3.86327623E-03     1.66767155E-03    -3.87122794E-04
     3.58902912E-05     9.80455993E-03     4.12756791E-03    -1.20403494E-02
     1.57889271E-02    -1.17427620E-02     4.92643251E-03    -1.07424900E-03
     9.54135620E-05 JX  3.51370563E+00    -2.46437379E-02     3.73400485E-03
     2.06418167E-02    -2.92345187E-02     1.46060162E-02    -2.39878579E-03
 Jf  3.13656002E+00    -1.20207190E-04     1.41808605E-04    -3.78671963E-04
    -1.57934209E-03     6.24178718E-04    -2.61499093E-04     4.69781493E-04
    -3.03298817E-05     9.59981725E-05    -4.77954954E-04     5.71841355E-04
    -7.15230462E-04    -3.51111812E-04     1.34237250E-04     2.13935366E-04
    -1.37052651E-04     5.79929902E-05    -4.63578692E-05     2.25712981E-04
    -2.43496451E-04     3.71183440E-04    -1.57374599E-04     8.28533812E-06
     1.86194670E-04    -2.14281930E-05     6.08581473E-07    -2.69828208E-05
    -2.65618469E-03     2.32335516E-03     2.88664014E-03    -2.12659552E-03
     7.94763832E-04     3.12277900E-03     2.66324696E-03    -6.68644300E-04
    -1.74255193E-04     1.54783194E-03    -1.49917918E-03    -9.82148889E-04
     8.50496105E-04    -5.32625837E-04     1.41626832E-04    -1.46952966E-04
     1.04265479E-03    -1.28174992E-03     2.64422150E-04     2.85784317E-03
    -1.01702488E-03     2.05984648E-05     5.68516368E-04    -9.28647040E-05
     3.87642976E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.361394E+00 ->   1.335174E+00
           Unreweighted mean energy (a.u.)  :  -1.138549E+02 ->  -1.138603E+02


 Writing parameters to correlation.out.7.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m5s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 3

 Current parameters:
 Be  9.31761262E-01    -3.92525417E-03     2.13298614E-01    -7.38205543E-01
     7.79651304E-01     5.99170150E-01    -2.02823298E+00     1.68694801E+00
    -5.13343437E-01     1.63971471E+00     1.23520143E-03    -1.12332838E-02
     4.26391051E-02    -9.79584206E-02     1.58041717E-01    -1.79596062E-01
     1.32255626E-01    -5.52380880E-02     9.82180870E-03 Bm  1.75313348E+00
    -2.35671844E-01     5.30345306E-01    -1.15489927E+00     1.12740815E+00
    -3.52061480E-01    -2.14903451E-01     3.83130151E-01    -7.00369886E-01
     6.36701792E-01    -1.88421519E-01 BP  5.79279544E+00     9.31487122E-05
    -3.61937623E-05    -9.13952832E-05     3.51367060E-05    -1.02455152E-05
     4.07423166E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.61270186E+00     5.62489484E-03     2.05182612E-03    -3.79655561E-03
     1.93876264E-03    -3.44344566E-04     7.37156271E-06     7.01182395E-06
    -1.14952909E-06     1.00434755E-02     4.33560210E-03    -1.28634874E-02
     1.72296369E-02    -1.30848641E-02     5.60000316E-03    -1.24565865E-03
     1.12873845E-04 JX  3.49179126E+00    -2.50442875E-02     3.87317548E-03
     2.17256138E-02    -3.11708178E-02     1.56188095E-02    -2.56732001E-03
 Jf  3.12522483E+00    -1.27752195E-04     1.07673347E-04    -1.86736135E-04
    -1.78303073E-03     5.77086567E-04    -2.44917215E-04     5.58752169E-04
     5.85404492E-04     1.19762429E-04    -4.59499914E-04     4.94096476E-04
    -1.04130320E-03     1.49534484E-04     1.68836596E-04    -6.60839773E-04
     2.15872561E-05     1.06659728E-05    -1.08751763E-04     3.23581780E-04
    -2.69229719E-04     2.97659646E-04    -2.40479537E-04     1.58320813E-05
     4.04622399E-04    -7.51374239E-05     1.74155814E-05    -2.67772479E-05
    -2.73977643E-03     2.47229819E-03     2.93995791E-03    -2.25030377E-03
     8.50939060E-04     3.20524622E-03     2.97538950E-03    -6.85490417E-04
    -1.61971182E-04     1.56230850E-03    -1.61605203E-03    -9.13094139E-04
     9.14980249E-04    -7.87780746E-04     1.88220859E-04    -1.69573679E-04
     1.06113334E-03    -1.30930258E-03     2.76189793E-04     2.96412795E-03
    -1.08813675E-03     2.15143663E-05     6.56183869E-04    -1.11139894E-04
     4.54938418E-05

 Rejected step:
 Variance  :   1.335174E+00 ->   1.608302E+00
 Energy    :  -1.138603E+02 ->  -1.138690E+02

 Current parameters:
 Be  9.32931088E-01    -4.09699174E-03     2.23433546E-01    -7.71016260E-01
     8.02936991E-01     6.37444663E-01    -2.07108350E+00     1.66400565E+00
    -4.85240388E-01     1.64929374E+00     1.31508566E-03    -1.20185445E-02
     4.50848802E-02    -9.98492510E-02     1.54371844E-01    -1.72111318E-01
     1.28026585E-01    -5.49250945E-02     1.00789523E-02 Bm  1.75130574E+00
    -2.31997329E-01     5.19756938E-01    -1.13673937E+00     1.11335970E+00
    -3.48058924E-01    -2.10695325E-01     3.70699951E-01    -6.79797596E-01
     6.21026177E-01    -1.84240925E-01 BP  5.54179651E+00     1.17163014E-04
    -4.52817620E-05    -1.10395827E-04     4.24480691E-05    -1.47645867E-05
     5.79888089E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.61726437E+00     5.59327291E-03     2.41147997E-03    -5.69033914E-03
     5.50879538E-03    -3.58366500E-03     1.54194626E-03    -3.57852423E-04
     3.31589413E-05     9.99708792E-03     4.19165720E-03    -1.21724959E-02
     1.59527503E-02    -1.18950044E-02     5.01315841E-03    -1.10015397E-03
     9.85663969E-05 JX  3.49810804E+00    -2.49550175E-02     3.88659942E-03
     2.11935971E-02    -3.03327840E-02     1.51898258E-02    -2.49518618E-03
 Jf  3.13760271E+00    -1.22301349E-04     1.45616714E-04    -3.62332742E-04
    -1.64149551E-03     6.43007803E-04    -2.73327915E-04     4.74756438E-04
     4.47415258E-05     9.81434747E-05    -4.72911236E-04     5.58054765E-04
    -7.47877749E-04    -2.83313332E-04     1.37405393E-04     1.05562066E-04
    -1.22510880E-04     5.64211565E-05    -5.38905884E-05     2.38002529E-04
    -2.46763580E-04     3.53882234E-04    -1.65257746E-04     9.00256853E-06
     2.12224608E-04    -2.69300722E-05     1.73438535E-06    -2.64899293E-05
    -2.65805401E-03     2.34302982E-03     2.88790970E-03    -2.14972980E-03
     8.09727526E-04     3.11934044E-03     2.71960522E-03    -6.68928984E-04
    -1.68440815E-04     1.54074346E-03    -1.50288577E-03    -9.71537085E-04
     8.64166843E-04    -5.74948761E-04     1.49250847E-04    -1.52562386E-04
     1.04401047E-03    -1.28825019E-03     2.70873758E-04     2.86823218E-03
    -1.02596134E-03     1.95792991E-05     5.78433299E-04    -9.43147488E-05
     3.97246505E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.335174E+00 ->   1.295955E+00
           Unreweighted mean energy (a.u.)  :  -1.138603E+02 ->  -1.138558E+02


 Writing parameters to correlation.out.7.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m5s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 7
 NL2SOL iteration     : 4

 Current parameters:
 Be  9.22078151E-01    -4.13782773E-03     2.28337113E-01    -7.93267504E-01
     8.36626689E-01     6.65317997E-01    -2.21832598E+00     1.82236042E+00
    -5.38833866E-01     1.71954527E+00     1.24284730E-03    -1.10939714E-02
     4.06811839E-02    -8.79107003E-02     1.31106940E-01    -1.39623000E-01
     9.94268615E-02    -4.12475928E-02     7.39714881E-03 Bm  1.78525565E+00
    -2.20007022E-01     4.59479940E-01    -1.00306206E+00     1.00098013E+00
    -3.18070139E-01    -2.02047548E-01     3.31024229E-01    -5.93514149E-01
     5.51103384E-01    -1.65476329E-01 BP  5.58961709E+00     1.12949565E-04
    -4.36834171E-05    -1.06452758E-04     4.09974696E-05    -1.41342182E-05
     5.54044315E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.62598993E+00     5.57222887E-03     2.38946567E-03    -5.56903217E-03
     5.22508692E-03    -3.30131556E-03     1.40269340E-03    -3.24307717E-04
     2.99982195E-05     9.93398051E-03     4.19763910E-03    -1.22424171E-02
     1.61322030E-02    -1.20713415E-02     5.09304271E-03    -1.11625676E-03
     9.96240715E-05 JX  3.49054200E+00    -2.51485016E-02     3.72272714E-03
     2.17045956E-02    -3.10517945E-02     1.55891177E-02    -2.56621054E-03
 Jf  3.13274202E+00    -1.22796072E-04     1.46952182E-04    -3.42473174E-04
    -1.66611053E-03     6.35612724E-04    -2.70402821E-04     4.81289727E-04
     1.15236454E-04     1.00478324E-04    -4.73577396E-04     5.42564409E-04
    -7.81371965E-04    -2.33886194E-04     1.43301421E-04     1.65013594E-05
    -1.05259425E-04     4.99750168E-05    -5.89713680E-05     2.49829288E-04
    -2.48770334E-04     3.45710280E-04    -1.72949005E-04     9.36776869E-06
     2.33336290E-04    -3.25644891E-05     3.90077276E-06    -2.73201654E-05
    -2.68485889E-03     2.36849615E-03     2.91540858E-03    -2.17353871E-03
     8.19145965E-04     3.14675413E-03     2.75943418E-03    -6.74264218E-04
    -1.66326231E-04     1.54401779E-03    -1.53512506E-03    -9.64085941E-04
     8.72427518E-04    -6.04349607E-04     1.54688487E-04    -1.55105512E-04
     1.04721965E-03    -1.28861184E-03     2.69522530E-04     2.88391741E-03
    -1.03473864E-03     1.96687768E-05     5.89538566E-04    -9.67306246E-05
     4.05976101E-05

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 4
 Function evaluations : 11
 Variance reduced to  : 0.12959554E+01

 Writing parameters to correlation.out.7.


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 8
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m7s remaining]
  DTVMC #1:   1.4519E-01 (optimized)
  DTVMC #2:   1.1685E-01 (optimized)
 Done. [total CPU time: 5m7s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.5465
 Acceptance ratio #2 <level 1>        (%)  =  51.7023
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8692
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0187
 Diffusion constant #1           (Bohr^2)  = 1.1200E-02
 Diffusion constant #2           (Bohr^2)  = 8.8543E-03
 Correlation time                 (steps)  = 3.4446E+00 +- 3.8284E-01
 Efficiency                  (au^-2 s^-1)  = 1.1184E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.852517341802
  Standard error                        +/-           0.021031917780

  Kinetic energy KEI (used in Total) (au) =         114.463032855119
  Standard error                        +/-           0.854836658446

  Kinetic energy TI                  (au) =         114.182205776987
  Standard error                        +/-           0.683836389097

  Kinetic energy FISQ                (au) =         113.901378698855
  Standard error                        +/-           1.070546824109

  Potential energy                   (au) =        -270.207136678762
  Standard error                        +/-           0.855489388654

  e-e interaction                    (au) =          78.332114757088
  Standard error                        +/-           0.108227896036

  e-n interaction                    (au) =        -348.539251435850
  Standard error                        +/-           0.879923471994

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.166616158274
  Standard error                        +/-           0.853908691593

  Maximum distance from origin       (au) =           7.986067510778

  Particles affected per move       (%) :  99.9690


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.7632
 Acceptance ratio #2 <level 1>        (%)  =  51.5637
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0070
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8665
 Diffusion constant #1           (Bohr^2)  = 1.1355E-02
 Diffusion constant #2           (Bohr^2)  = 8.9502E-03
 Correlation time                 (steps)  = 3.3935E+00 +- 3.5485E-01
 Efficiency                  (au^-2 s^-1)  = 2.3537E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.798576311016
  Standard error                        +/-           0.014954555780

  Kinetic energy KEI (used in Total) (au) =         105.637922867403
  Standard error                        +/-           0.935919405683

  Kinetic energy TI                  (au) =         109.133234938920
  Standard error                        +/-           0.524761733209

  Kinetic energy FISQ                (au) =         112.628547010437
  Standard error                        +/-           0.422344429038

  Potential energy                   (au) =        -261.328085660260
  Standard error                        +/-           0.935410343104

  e-e interaction                    (au) =          78.477164408954
  Standard error                        +/-           0.095952569507

  e-n interaction                    (au) =        -339.805250069213
  Standard error                        +/-           0.973423041782

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.253986751143
  Standard error                        +/-           0.060890655694

  Maximum distance from origin       (au) =           7.415363457403

  Particles affected per move       (%) :  99.9669


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.5775
 Acceptance ratio #2 <level 1>        (%)  =  51.9394
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8992
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.3657
 Diffusion constant #1           (Bohr^2)  = 1.0921E-02
 Diffusion constant #2           (Bohr^2)  = 9.2985E-03
 Correlation time                 (steps)  = 4.0159E+00 +- 4.6005E-01
 Efficiency                  (au^-2 s^-1)  = 1.5350E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.921655876277
  Standard error                        +/-           0.018206369409

  Kinetic energy KEI (used in Total) (au) =         108.247355687127
  Standard error                        +/-           0.905298086161

  Kinetic energy TI                  (au) =         110.620814935660
  Standard error                        +/-           0.495437814934

  Kinetic energy FISQ                (au) =         112.994274184194
  Standard error                        +/-           0.395095427863

  Potential energy                   (au) =        -264.060598045244
  Standard error                        +/-           0.902566674308

  e-e interaction                    (au) =          77.667461809251
  Standard error                        +/-           0.098144980486

  e-n interaction                    (au) =        -341.728059854495
  Standard error                        +/-           0.923409205820

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.624806400901
  Standard error                        +/-           0.188111184349

  Maximum distance from origin       (au) =           7.860148857139

  Particles affected per move       (%) :  99.8811


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.5725
 Acceptance ratio #2 <level 1>        (%)  =  52.0018
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8982
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.3345
 Diffusion constant #1           (Bohr^2)  = 1.1210E-02
 Diffusion constant #2           (Bohr^2)  = 8.6863E-03
 Correlation time                 (steps)  = 3.5456E+00 +- 4.2441E-01
 Efficiency                  (au^-2 s^-1)  = 2.0125E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.815242401380
  Standard error                        +/-           0.015884063007

  Kinetic energy KEI (used in Total) (au) =         105.203088272806
  Standard error                        +/-           0.996645584536

  Kinetic energy TI                  (au) =         108.800087827554
  Standard error                        +/-           0.536072452574

  Kinetic energy FISQ                (au) =         112.397087382302
  Standard error                        +/-           0.392307466707

  Potential energy                   (au) =        -260.909917156027
  Standard error                        +/-           0.996387318150

  e-e interaction                    (au) =          78.104485044875
  Standard error                        +/-           0.089959899661

  e-n interaction                    (au) =        -339.014402200902
  Standard error                        +/-           1.026485183183

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.169731204991
  Standard error                        +/-           0.046907672449

  Maximum distance from origin       (au) =           7.246171298867

  Particles affected per move       (%) :  99.9905


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.6743
 Acceptance ratio #2 <level 1>        (%)  =  51.1731
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9331
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.4134
 Diffusion constant #1           (Bohr^2)  = 1.1084E-02
 Diffusion constant #2           (Bohr^2)  = 8.9626E-03
 Correlation time                 (steps)  = 4.3159E+00 +- 6.8960E-01
 Efficiency                  (au^-2 s^-1)  = 1.3919E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.833352266574
  Standard error                        +/-           0.017728544708

  Kinetic energy KEI (used in Total) (au) =         104.981717820036
  Standard error                        +/-           0.699929760227

  Kinetic energy TI                  (au) =         109.733280393090
  Standard error                        +/-           0.629596261970

  Kinetic energy FISQ                (au) =         114.484842966143
  Standard error                        +/-           1.028102226885

  Potential energy                   (au) =        -260.706656568450
  Standard error                        +/-           0.697695395605

  e-e interaction                    (au) =          78.708548931724
  Standard error                        +/-           0.094869104910

  e-n interaction                    (au) =        -339.415205500174
  Standard error                        +/-           0.723149423508

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.667306221086
  Standard error                        +/-           0.314132292208

  Maximum distance from origin       (au) =           8.294593138175

  Particles affected per move       (%) :  99.9406


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.7522
 Acceptance ratio #2 <level 1>        (%)  =  51.8258
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0379
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0998
 Diffusion constant #1           (Bohr^2)  = 1.1237E-02
 Diffusion constant #2           (Bohr^2)  = 9.1865E-03
 Correlation time                 (steps)  = 3.9378E+00 +- 6.0847E-01
 Efficiency                  (au^-2 s^-1)  = 1.2089E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.903166940189
  Standard error                        +/-           0.018276121469

  Kinetic energy KEI (used in Total) (au) =         121.300281505839
  Standard error                        +/-           1.301052317617

  Kinetic energy TI                  (au) =         117.929418371806
  Standard error                        +/-           1.072786889951

  Kinetic energy FISQ                (au) =         114.558555237772
  Standard error                        +/-           1.732915484436

  Potential energy                   (au) =        -277.095034927869
  Standard error                        +/-           1.301676717453

  e-e interaction                    (au) =          78.609954214477
  Standard error                        +/-           0.103811039700

  e-n interaction                    (au) =        -355.704989142346
  Standard error                        +/-           1.300571444437

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.753308594824
  Standard error                        +/-           0.232069502041

  Maximum distance from origin       (au) =           7.269637580189

  Particles affected per move       (%) :  99.9827


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.6484
 Acceptance ratio #2 <level 1>        (%)  =  51.9768
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9231
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2571
 Diffusion constant #1           (Bohr^2)  = 1.0877E-02
 Diffusion constant #2           (Bohr^2)  = 8.9560E-03
 Correlation time                 (steps)  = 4.0798E+00 +- 5.1585E-01
 Efficiency                  (au^-2 s^-1)  = 1.9939E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.865158277697
  Standard error                        +/-           0.015323045147

  Kinetic energy KEI (used in Total) (au) =         101.743138120400
  Standard error                        +/-           0.895684292035

  Kinetic energy TI                  (au) =         107.147026653356
  Standard error                        +/-           0.487633008339

  Kinetic energy FISQ                (au) =         112.550915186312
  Standard error                        +/-           0.444125834197

  Potential energy                   (au) =        -257.499882879937
  Standard error                        +/-           0.896982508475

  e-e interaction                    (au) =          78.124831450608
  Standard error                        +/-           0.105007821263

  e-n interaction                    (au) =        -335.624714330545
  Standard error                        +/-           0.929991606355

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.231259510018
  Standard error                        +/-           0.056164435844

  Maximum distance from origin       (au) =           7.412409883236

  Particles affected per move       (%) :  99.9892


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.5325
 Acceptance ratio #2 <level 1>        (%)  =  51.7410
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8163
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0437
 Diffusion constant #1           (Bohr^2)  = 1.1214E-02
 Diffusion constant #2           (Bohr^2)  = 8.9499E-03
 Correlation time                 (steps)  = 4.4309E+00 +- 5.8987E-01
 Efficiency                  (au^-2 s^-1)  = 1.7752E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.851280942425
  Standard error                        +/-           0.015312800927

  Kinetic energy KEI (used in Total) (au) =         128.726338720670
  Standard error                        +/-           1.602347950011

  Kinetic energy TI                  (au) =         121.213832784465
  Standard error                        +/-           0.830140089763

  Kinetic energy FISQ                (au) =         113.701326848261
  Standard error                        +/-           0.577207456043

  Potential energy                   (au) =        -284.469206144936
  Standard error                        +/-           1.602085661624

  e-e interaction                    (au) =          78.607739471474
  Standard error                        +/-           0.103053791835

  e-n interaction                    (au) =        -363.076945616410
  Standard error                        +/-           1.620296451393

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.273390976515
  Standard error                        +/-           0.038920908550

  Maximum distance from origin       (au) =           7.434648662871

  Particles affected per move       (%) :  99.9756


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.6034
 Acceptance ratio #2 <level 1>        (%)  =  51.7772
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9511
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1136
 Diffusion constant #1           (Bohr^2)  = 1.0880E-02
 Diffusion constant #2           (Bohr^2)  = 8.7075E-03
 Correlation time                 (steps)  = 5.2833E+00 +- 1.0621E+00
 Efficiency                  (au^-2 s^-1)  = 1.1707E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.811775749583
  Standard error                        +/-           0.015426874273

  Kinetic energy KEI (used in Total) (au) =         106.566698122222
  Standard error                        +/-           1.122372898759

  Kinetic energy TI                  (au) =         110.238730228984
  Standard error                        +/-           0.759301390832

  Kinetic energy FISQ                (au) =         113.910762335746
  Standard error                        +/-           1.003976772226

  Potential energy                   (au) =        -262.270060353645
  Standard error                        +/-           1.119435029610

  e-e interaction                    (au) =          78.032228513387
  Standard error                        +/-           0.106530261676

  e-n interaction                    (au) =        -340.302288867033
  Standard error                        +/-           1.133002569854

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.349429066752
  Standard error                        +/-           0.107263641917

  Maximum distance from origin       (au) =           8.053310177865

  Particles affected per move       (%) :  99.9480


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.6064
 Acceptance ratio #2 <level 1>        (%)  =  51.6399
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9281
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8877
 Diffusion constant #1           (Bohr^2)  = 1.1278E-02
 Diffusion constant #2           (Bohr^2)  = 8.7626E-03
 Correlation time                 (steps)  = 4.2959E+00 +- 5.3046E-01
 Efficiency                  (au^-2 s^-1)  = 1.8879E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.824356409211
  Standard error                        +/-           0.014046841095

  Kinetic energy KEI (used in Total) (au) =         110.003603413088
  Standard error                        +/-           0.756537631735

  Kinetic energy TI                  (au) =         111.479143281992
  Standard error                        +/-           0.464333003818

  Kinetic energy FISQ                (au) =         112.954683150895
  Standard error                        +/-           0.512978346638

  Potential energy                   (au) =        -265.719546304140
  Standard error                        +/-           0.754489953208

  e-e interaction                    (au) =          78.502201763421
  Standard error                        +/-           0.106817851116

  e-n interaction                    (au) =        -344.221748067561
  Standard error                        +/-           0.768926733874

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.234962040187
  Standard error                        +/-           0.057651036517

  Maximum distance from origin       (au) =           7.712734805676

  Particles affected per move       (%) :  99.9354


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.847708251615 +/- 0.005296247809      No correction
 -113.847708251615 +/- 0.010690469171      Correlation time method
 -113.847708251615 +/- 0.008711457980      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.847708251615 +/-       0.008711457980
    stderr:      0.008711457980 +/-       0.000889979002
    errfac:      1.634504284944 +/-       0.166984045080
    N_corr:      2.671604257500 +/-       0.545872274400
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.329725E-03   6.737317E-05
            2   6.243368E-03   1.116312E-04
            4   7.373377E-03   1.865035E-04
            8   8.537254E-03   3.055848E-04
           16   9.600356E-03   4.866010E-04
           32   1.011639E-02   7.270175E-04
           64   8.711458E-03   8.899790E-04  *** BEST ***
          128   9.805565E-03   1.431717E-03
          256   8.463098E-03   1.786039E-03
          512   1.092490E-02   3.416272E-03
         1024   9.915279E-03   4.888895E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.472479692469 +- 0.101687238622

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ==================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 8
 ==================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  9.32931088E-01    -4.09699174E-03     2.23433546E-01    -7.71016260E-01
     8.02936991E-01     6.37444663E-01    -2.07108350E+00     1.66400565E+00
    -4.85240388E-01     1.64929374E+00     1.31508566E-03    -1.20185445E-02
     4.50848802E-02    -9.98492510E-02     1.54371844E-01    -1.72111318E-01
     1.28026585E-01    -5.49250945E-02     1.00789523E-02 Bm  1.75130574E+00
    -2.31997329E-01     5.19756938E-01    -1.13673937E+00     1.11335970E+00
    -3.48058924E-01    -2.10695325E-01     3.70699951E-01    -6.79797596E-01
     6.21026177E-01    -1.84240925E-01 BP  5.54179651E+00     1.17163014E-04
    -4.52817620E-05    -1.10395827E-04     4.24480691E-05    -1.47645867E-05
     5.79888089E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.61726437E+00     5.59327291E-03     2.41147997E-03    -5.69033914E-03
     5.50879538E-03    -3.58366500E-03     1.54194626E-03    -3.57852423E-04
     3.31589413E-05     9.99708792E-03     4.19165720E-03    -1.21724959E-02
     1.59527503E-02    -1.18950044E-02     5.01315841E-03    -1.10015397E-03
     9.85663969E-05 JX  3.49810804E+00    -2.49550175E-02     3.88659942E-03
     2.11935971E-02    -3.03327840E-02     1.51898258E-02    -2.49518618E-03
 Jf  3.13760271E+00    -1.22301349E-04     1.45616714E-04    -3.62332742E-04
    -1.64149551E-03     6.43007803E-04    -2.73327915E-04     4.74756438E-04
     4.47415258E-05     9.81434747E-05    -4.72911236E-04     5.58054765E-04
    -7.47877749E-04    -2.83313332E-04     1.37405393E-04     1.05562066E-04
    -1.22510880E-04     5.64211565E-05    -5.38905884E-05     2.38002529E-04
    -2.46763580E-04     3.53882234E-04    -1.65257746E-04     9.00256853E-06
     2.12224608E-04    -2.69300722E-05     1.73438535E-06    -2.64899293E-05
    -2.65805401E-03     2.34302982E-03     2.88790970E-03    -2.14972980E-03
     8.09727526E-04     3.11934044E-03     2.71960522E-03    -6.68928984E-04
    -1.68440815E-04     1.54074346E-03    -1.50288577E-03    -9.71537085E-04
     8.64166843E-04    -5.74948761E-04     1.49250847E-04    -1.52562386E-04
     1.04401047E-03    -1.28825019E-03     2.70873758E-04     2.86823218E-03
    -1.02596134E-03     1.95792991E-05     5.78433299E-04    -9.43147488E-05
     3.97246505E-05

    Unreweighted variance of energy (a.u.)  :   1.274415E+00
           Unreweighted mean energy (a.u.)  :  -1.138484E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m5s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  8.98166112E-01    -5.71290057E-03     1.16248741E-01     7.74371722E-02
    -1.04325816E+00     1.56930918E+00    -4.05267490E-01    -8.07649206E-01
     5.49454876E-01     1.63186459E+00     1.53658587E-03    -1.34119865E-02
     5.21272550E-02    -1.26616354E-01     2.04481544E-01    -2.04173871E-01
     1.12530334E-01    -2.82088684E-02     1.72522348E-03 Bm  1.75958117E+00
    -1.55927262E-01     2.69156437E-01    -6.68556277E-01     7.45419061E-01
    -2.49485496E-01    -2.02140285E-01     3.81124600E-01    -7.64916462E-01
     7.21074910E-01    -2.16987713E-01 BP  5.80979081E+00     8.32089569E-05
    -3.24966211E-05    -9.75909060E-05     3.76237059E-05    -5.20960006E-06
     2.12907743E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.59325171E+00     4.96766033E-03     6.59075556E-03    -1.54218754E-02
     1.61542993E-02    -9.39937978E-03     3.18786054E-03    -5.92618706E-04
     4.72182296E-05     1.01867820E-02     4.25272375E-03    -1.27187478E-02
     1.81219165E-02    -1.44583803E-02     6.43692986E-03    -1.48846935E-03
     1.40936408E-04 JX  3.50101075E+00    -2.49012597E-02     3.27963345E-03
     1.76681996E-02    -2.40844508E-02     1.19902180E-02    -1.95805549E-03
 Jf  3.15307714E+00    -1.27079423E-04    -2.61955563E-05    -2.99184858E-04
    -1.39187912E-03     5.43222959E-04    -2.24671344E-04     5.84707787E-04
     1.91911269E-04     1.35826674E-04    -5.04431615E-04     8.02936931E-04
    -7.50244881E-04    -1.01164543E-04     1.00347664E-04    -3.78682580E-04
    -1.52539484E-05     3.40351796E-05    -3.77777384E-05     1.66011156E-04
    -2.74910554E-04     4.04176709E-04    -2.22388141E-04     2.41464806E-05
     3.33989954E-04    -5.44433616E-05     5.44772142E-06    -3.78431370E-05
    -2.65281506E-03     2.56547425E-03     2.88699611E-03    -2.28997369E-03
     8.66904913E-04     2.98608567E-03     3.38995934E-03    -6.70351047E-04
    -2.46477777E-05     1.13738934E-03    -1.50534963E-03    -1.95790455E-04
     8.47420050E-04    -1.86035239E-03     4.48172839E-04    -2.58795328E-04
     9.87714493E-04    -1.19688309E-03     3.43830477E-04     2.42557235E-03
    -9.91138270E-04     1.27858517E-05     7.71150779E-04    -1.59537633E-04
     6.66986781E-05

 Rejected step:
 Variance  :   1.274415E+00 ->   1.501310E+00
 Energy    :  -1.138484E+02 ->  -1.138224E+02

 Current parameters:
 Be  9.03706377E-01    -5.76264288E-03     2.41699285E-01    -7.59853939E-01
     8.17956712E-01     6.21997338E-01    -2.48887113E+00     2.22003260E+00
    -5.97973872E-01     1.64125994E+00     1.57351014E-03    -1.31023032E-02
     4.55715626E-02    -9.78188513E-02     1.56045897E-01    -1.80289398E-01
     1.32530833E-01    -5.34309816E-02     8.91453717E-03 Bm  1.75631703E+00
    -1.65280098E-01     2.80152103E-01    -6.77743088E-01     7.54283235E-01
    -2.52060825E-01    -2.14585918E-01     3.96648969E-01    -7.72600736E-01
     7.24428028E-01    -2.17684222E-01 BP  5.51278177E+00     1.17707550E-04
    -4.55485301E-05    -1.13807983E-04     4.41004336E-05    -1.55114939E-05
     5.98010964E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.61380745E+00     4.96205101E-03     4.42086870E-03    -8.99100389E-03
     8.03543275E-03    -4.09815646E-03     1.32329365E-03    -2.57789684E-04
     2.31334197E-05     1.00163177E-02     3.85827390E-03    -1.13080288E-02
     1.54989347E-02    -1.19499465E-02     5.17315061E-03    -1.16670490E-03
     1.08091423E-04 JX  3.49818543E+00    -2.51418089E-02     2.91136769E-03
     2.04276009E-02    -2.75500143E-02     1.35379981E-02    -2.18665054E-03
 Jf  3.14518855E+00    -1.30166935E-04     8.83897888E-05    -3.53443113E-04
    -1.59027415E-03     6.11206439E-04    -2.47070566E-04     3.54466202E-04
     1.25896872E-04     1.09456476E-04    -4.44597054E-04     6.63686248E-04
    -5.77799930E-04    -2.97977813E-04     1.31269513E-04    -3.23614863E-05
    -1.10182630E-04     6.35999197E-05    -3.88642682E-05     1.62304597E-04
    -2.48251556E-04     3.62988088E-04    -1.64015528E-04     1.07501125E-05
     2.21252902E-04    -2.07476290E-05    -5.19414572E-06    -3.82780964E-05
    -2.70285976E-03     2.42723771E-03     3.07279373E-03    -2.24910296E-03
     8.38804250E-04     3.07935029E-03     2.78967988E-03    -6.86071486E-04
    -8.21624805E-05     1.37951100E-03    -1.36671272E-03    -8.92247903E-04
     8.85718892E-04    -7.16447138E-04     2.01071944E-04    -1.81364137E-04
     1.05506265E-03    -1.32245620E-03     3.43162935E-04     2.77859005E-03
    -1.01119505E-03     1.03775938E-05     5.76726291E-04    -9.66247044E-05
     4.36634328E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.274415E+00 ->   1.235573E+00
           Unreweighted mean energy (a.u.)  :  -1.138484E+02 ->  -1.138524E+02


 Writing parameters to correlation.out.8.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m3s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.31793301E-01    -5.67112170E-03     1.97724943E-01    -5.55574138E-01
     5.50436048E-01     4.71829485E-01    -1.89606322E+00     1.86266438E+00
    -5.95963345E-01     1.65490111E+00     1.50230033E-03    -1.22579290E-02
     4.24739930E-02    -9.35880755E-02     1.53595829E-01    -1.76400090E-01
     1.24681979E-01    -4.74245199E-02     7.41094249E-03 Bm  1.76837991E+00
    -1.49941866E-01     2.36404290E-01    -6.02635858E-01     6.94433665E-01
    -2.36469965E-01    -2.02582601E-01     3.75589203E-01    -7.50568301E-01
     7.14152275E-01    -2.17453696E-01 BP  5.75162733E+00     9.82671743E-05
    -3.80916362E-05    -9.61733692E-05     3.72252301E-05    -1.23521154E-05
     4.76759983E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.59686686E+00     4.97919310E-03     5.15265200E-03    -1.08385190E-02
     9.84877844E-03    -4.80784593E-03     1.34876757E-03    -2.09676700E-04
     1.47391638E-05     1.01600450E-02     3.82004371E-03    -1.12053745E-02
     1.56790666E-02    -1.23796672E-02     5.47726963E-03    -1.26038622E-03
     1.18959803E-04 JX  3.49657725E+00    -2.51202905E-02     2.93236145E-03
     1.89225795E-02    -2.54728720E-02     1.26041546E-02    -2.05116540E-03
 Jf  3.13994875E+00    -1.31306401E-04     4.23174733E-05    -3.68117142E-04
    -1.50037427E-03     6.09979817E-04    -2.53254897E-04     4.56239215E-04
     6.04221112E-05     1.15277597E-04    -4.88506999E-04     7.54210470E-04
    -5.83325954E-04    -2.96385214E-04     1.14793578E-04    -6.33972690E-05
    -8.95955326E-05     5.79038553E-05    -1.49949511E-05     1.35647000E-04
    -2.52306518E-04     4.02144757E-04    -1.80692699E-04     1.56979714E-05
     2.43666851E-04    -2.93013678E-05    -2.42835824E-06    -3.86446385E-05
    -2.72514118E-03     2.49763025E-03     3.07816126E-03    -2.29400393E-03
     8.58416677E-04     3.08003242E-03     2.97050396E-03    -7.00269143E-04
    -6.09362330E-05     1.31100107E-03    -1.36718679E-03    -7.39083466E-04
     8.84638821E-04    -9.81881990E-04     2.59732017E-04    -2.00677516E-04
     1.06816033E-03    -1.32688908E-03     3.64128029E-04     2.70649183E-03
    -1.00290223E-03     8.67480058E-06     6.08012335E-04    -1.08050080E-04
     4.84556019E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.235573E+00 ->   1.281574E+00
           Unreweighted mean energy (a.u.)  :  -1.138524E+02 ->  -1.138390E+02


 Writing parameters to correlation.out.8.

 Current parameters:
 Be  9.31642467E-01    -5.69609945E-03     2.23383111E-01    -6.81190774E-01
     7.14245250E-01     5.26084553E-01    -2.06224446E+00     1.80804421E+00
    -4.88427620E-01     1.67461329E+00     1.55176107E-03    -1.27283158E-02
     4.35161978E-02    -9.18497237E-02     1.44112950E-01    -1.63328023E-01
     1.17372773E-01    -4.62008648E-02     7.54429000E-03 Bm  1.76679880E+00
    -1.55779032E-01     2.45134355E-01    -6.12925217E-01     7.03297652E-01
    -2.39043079E-01    -2.08487185E-01     3.81125741E-01    -7.51285847E-01
     7.13691692E-01    -2.17225197E-01 BP  5.52861532E+00     1.16268477E-04
    -4.49907789E-05    -1.12579013E-04     4.36209329E-05    -1.53184467E-05
     5.90286174E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.60055900E+00     5.00029844E-03     4.61488911E-03    -9.36673576E-03
     8.32881889E-03    -4.16756745E-03     1.30141040E-03    -2.44867420E-04
     2.15137026E-05     1.01297978E-02     3.84884840E-03    -1.12345507E-02
     1.54355611E-02    -1.19534363E-02     5.19863057E-03    -1.17821252E-03
     1.09769139E-04 JX  3.49541743E+00    -2.52111159E-02     2.79411752E-03
     2.02315491E-02    -2.71784575E-02     1.33753489E-02    -2.16544096E-03
 Jf  3.14151970E+00    -1.31355442E-04     8.43977725E-05    -3.53961123E-04
    -1.58800432E-03     6.14636445E-04    -2.50241997E-04     3.63348515E-04
     1.24800479E-04     1.08986865E-04    -4.49892138E-04     6.69863746E-04
    -5.65420001E-04    -2.98236065E-04     1.30780251E-04    -3.84433038E-05
    -1.08059562E-04     6.34051808E-05    -3.18574329E-05     1.53785216E-04
    -2.44243002E-04     3.65407648E-04    -1.64497716E-04     1.07956566E-05
     2.21499427E-04    -2.10964317E-05    -5.04289895E-06    -3.84323927E-05
    -2.71337348E-03     2.44066866E-03     3.08266268E-03    -2.25957682E-03
     8.42687386E-04     3.08534498E-03     2.81183459E-03    -6.92838889E-04
    -7.88348676E-05     1.36858420E-03    -1.36150710E-03    -8.81401794E-04
     8.87031022E-04    -7.36711092E-04     2.05959380E-04    -1.83191341E-04
     1.06304292E-03    -1.32809097E-03     3.48466163E-04     2.77205134E-03
    -1.00891262E-03     9.75003742E-06     5.76835561E-04    -9.72798107E-05
     4.41434564E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.281574E+00 ->   1.235199E+00
           Unreweighted mean energy (a.u.)  :  -1.138390E+02 ->  -1.138512E+02


 Writing parameters to correlation.out.8.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 6
 NL2SOL iteration     : 3

 Current parameters:
 Be  9.63689191E-01    -5.60790280E-03     2.09090381E-01    -6.11633434E-01
     6.12411577E-01     4.37801608E-01    -1.67217413E+00     1.44409470E+00
    -3.83368744E-01     1.66649296E+00     1.56209175E-03    -1.29127612E-02
     4.42021290E-02    -9.30009580E-02     1.46402356E-01    -1.67733863E-01
     1.21273796E-01    -4.72466160E-02     7.43497975E-03 Bm  1.78106101E+00
    -1.46940706E-01     2.05730622E-01    -5.31073869E-01     6.31280515E-01
    -2.17523410E-01    -2.01289821E-01     3.53269423E-01    -6.94922564E-01
     6.63697313E-01    -2.01939191E-01 BP  5.54748386E+00     1.14665365E-04
    -4.43598032E-05    -1.11147171E-04     4.30063710E-05    -1.50517925E-05
     5.81863209E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.60111039E+00     4.99691312E-03     4.69856763E-03    -9.59843379E-03
     8.54396854E-03    -4.23488721E-03     1.28800463E-03    -2.33231839E-04
     1.97692962E-05     1.01363477E-02     3.83476470E-03    -1.11906467E-02
     1.54000352E-02    -1.19604943E-02     5.22090214E-03    -1.18822790E-03
     1.11202036E-04 JX  3.49701873E+00    -2.52144124E-02     2.74215339E-03
     2.00740405E-02    -2.68824231E-02     1.32323925E-02    -2.14467706E-03
 Jf  3.14098131E+00    -1.31299821E-04     8.33109658E-05    -3.54919781E-04
    -1.58869048E-03     6.18602812E-04    -2.53612821E-04     3.67245706E-04
     1.23793310E-04     1.07081490E-04    -4.55088904E-04     6.76742425E-04
    -5.56290077E-04    -2.98562365E-04     1.29751395E-04    -4.38261378E-05
    -1.06325237E-04     6.35421261E-05    -2.54748209E-05     1.47477730E-04
    -2.42503033E-04     3.68692230E-04    -1.65318445E-04     1.10835296E-05
     2.22248926E-04    -2.14263041E-05    -5.06892384E-06    -3.83695888E-05
    -2.71686415E-03     2.44752723E-03     3.09335854E-03    -2.26443023E-03
     8.43593098E-04     3.08508448E-03     2.82760538E-03    -6.95372507E-04
    -7.58853829E-05     1.35884882E-03    -1.35096705E-03    -8.72141450E-04
     8.88175872E-04    -7.57228564E-04     2.10749360E-04    -1.84615434E-04
     1.06654634E-03    -1.33282905E-03     3.54414539E-04     2.76706017E-03
    -1.00763734E-03     9.21297816E-06     5.77524374E-04    -9.78454298E-05
     4.44715532E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.235199E+00 ->   1.234788E+00
           Unreweighted mean energy (a.u.)  :  -1.138512E+02 ->  -1.138510E+02


 Writing parameters to correlation.out.8.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m3s remaining]
 Done. [total CPU time: 4m8s]

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 3
 Function evaluations : 10
 Variance reduced to  : 0.12347882E+01

 Writing parameters to correlation.out.8.


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 9
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m8s remaining]
  DTVMC #1:   1.4471E-01 (optimized)
  DTVMC #2:   1.1742E-01 (optimized)
 Done. [total CPU time: 5m8s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.4926
 Acceptance ratio #2 <level 1>        (%)  =  51.6948
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7853
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8877
 Diffusion constant #1           (Bohr^2)  = 1.1014E-02
 Diffusion constant #2           (Bohr^2)  = 9.2576E-03
 Correlation time                 (steps)  = 4.2814E+00 +- 4.9425E-01
 Efficiency                  (au^-2 s^-1)  = 1.4086E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.814655255633
  Standard error                        +/-           0.017885362485

  Kinetic energy KEI (used in Total) (au) =         108.158091463500
  Standard error                        +/-           0.874896273419

  Kinetic energy TI                  (au) =         115.530666277131
  Standard error                        +/-           4.727029114270

  Kinetic energy FISQ                (au) =         122.903241090763
  Standard error                        +/-           9.489998119334

  Potential energy                   (au) =        -263.864333200974
  Standard error                        +/-           0.873009283600

  e-e interaction                    (au) =          78.134156842374
  Standard error                        +/-           0.093837118108

  e-n interaction                    (au) =        -341.998490043347
  Standard error                        +/-           0.901731154647

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.383998162780
  Standard error                        +/-           0.158952151369

  Maximum distance from origin       (au) =           8.072841070580

  Particles affected per move       (%) :  99.9860


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.6813
 Acceptance ratio #2 <level 1>        (%)  =  51.7709
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9241
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9176
 Diffusion constant #1           (Bohr^2)  = 1.0799E-02
 Diffusion constant #2           (Bohr^2)  = 9.1631E-03
 Correlation time                 (steps)  = 3.8898E+00 +- 4.5394E-01
 Efficiency                  (au^-2 s^-1)  = 2.0063E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.834217982048
  Standard error                        +/-           0.016461790135

  Kinetic energy KEI (used in Total) (au) =         114.343681882862
  Standard error                        +/-           1.122492281468

  Kinetic energy TI                  (au) =         114.965444438336
  Standard error                        +/-           1.064252967941

  Kinetic energy FISQ                (au) =         115.587206993810
  Standard error                        +/-           1.799864871284

  Potential energy                   (au) =        -270.069486346751
  Standard error                        +/-           1.122572532222

  e-e interaction                    (au) =          77.786542180448
  Standard error                        +/-           0.105820974087

  e-n interaction                    (au) =        -347.856028527198
  Standard error                        +/-           1.164244179549

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.283441518935
  Standard error                        +/-           0.066379138681

  Maximum distance from origin       (au) =           8.525023562312

  Particles affected per move       (%) :  99.8931


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.5645
 Acceptance ratio #2 <level 1>        (%)  =  51.6062
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7794
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8540
 Diffusion constant #1           (Bohr^2)  = 1.0882E-02
 Diffusion constant #2           (Bohr^2)  = 8.9221E-03
 Correlation time                 (steps)  = 4.3383E+00 +- 5.3381E-01
 Efficiency                  (au^-2 s^-1)  = 7.0741E+01
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.775981076116
  Standard error                        +/-           0.023889335046

  Kinetic energy KEI (used in Total) (au) =         112.359395570495
  Standard error                        +/-           0.956266436402

  Kinetic energy TI                  (au) =         112.912752885970
  Standard error                        +/-           0.571168516573

  Kinetic energy FISQ                (au) =         113.466110201445
  Standard error                        +/-           0.670720399931

  Potential energy                   (au) =        -268.026963128451
  Standard error                        +/-           0.957005071088

  e-e interaction                    (au) =          78.320556544133
  Standard error                        +/-           0.103672792857

  e-n interaction                    (au) =        -346.347519672584
  Standard error                        +/-           0.968006707924

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.719748536245
  Standard error                        +/-           1.254785021969

  Maximum distance from origin       (au) =           8.139174366739

  Particles affected per move       (%) :  99.9219


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.6753
 Acceptance ratio #2 <level 1>        (%)  =  51.6411
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9191
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7853
 Diffusion constant #1           (Bohr^2)  = 1.1220E-02
 Diffusion constant #2           (Bohr^2)  = 8.9144E-03
 Correlation time                 (steps)  = 4.3033E+00 +- 7.3015E-01
 Efficiency                  (au^-2 s^-1)  = 1.7212E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.894529266891
  Standard error                        +/-           0.016493997567

  Kinetic energy KEI (used in Total) (au) =         115.295855046049
  Standard error                        +/-           0.746981176971

  Kinetic energy TI                  (au) =         113.735744328024
  Standard error                        +/-           0.427803384640

  Kinetic energy FISQ                (au) =         112.175633609999
  Standard error                        +/-           0.382556447048

  Potential energy                   (au) =        -271.081970794780
  Standard error                        +/-           0.747456341610

  e-e interaction                    (au) =          79.107234583813
  Standard error                        +/-           0.118691036037

  e-n interaction                    (au) =        -350.189205378594
  Standard error                        +/-           0.793836807545

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.352276383151
  Standard error                        +/-           0.145754890282

  Maximum distance from origin       (au) =           7.438588933320

  Particles affected per move       (%) :  99.9858


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.2630
 Acceptance ratio #2 <level 1>        (%)  =  51.8620
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.5677
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1647
 Diffusion constant #1           (Bohr^2)  = 1.1161E-02
 Diffusion constant #2           (Bohr^2)  = 9.3397E-03
 Correlation time                 (steps)  = 3.7892E+00 +- 4.4196E-01
 Efficiency                  (au^-2 s^-1)  = 1.7901E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.862176331630
  Standard error                        +/-           0.017605061860

  Kinetic energy KEI (used in Total) (au) =         117.162413864130
  Standard error                        +/-           1.215163834850

  Kinetic energy TI                  (au) =         115.027825996695
  Standard error                        +/-           0.663440180592

  Kinetic energy FISQ                (au) =         112.893238129260
  Standard error                        +/-           0.473984890849

  Potential energy                   (au) =        -272.916176677600
  Standard error                        +/-           1.215712137847

  e-e interaction                    (au) =          78.687377840878
  Standard error                        +/-           0.110799554966

  e-n interaction                    (au) =        -351.603554518478
  Standard error                        +/-           1.248421997374

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.476585980227
  Standard error                        +/-           0.176110870191

  Maximum distance from origin       (au) =           8.339244799312

  Particles affected per move       (%) :  99.9405


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.8131
 Acceptance ratio #2 <level 1>        (%)  =  51.9207
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2037
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1597
 Diffusion constant #1           (Bohr^2)  = 1.1559E-02
 Diffusion constant #2           (Bohr^2)  = 9.1661E-03
 Correlation time                 (steps)  = 4.2407E+00 +- 4.8363E-01
 Efficiency                  (au^-2 s^-1)  = 1.5711E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.808448781676
  Standard error                        +/-           0.016711260500

  Kinetic energy KEI (used in Total) (au) =         111.567355915469
  Standard error                        +/-           1.017718644089

  Kinetic energy TI                  (au) =         112.257933438183
  Standard error                        +/-           0.596377435124

  Kinetic energy FISQ                (au) =         112.948510960897
  Standard error                        +/-           0.644591526913

  Potential energy                   (au) =        -267.267391178986
  Standard error                        +/-           1.017542588284

  e-e interaction                    (au) =          77.673038767146
  Standard error                        +/-           0.107793754388

  e-n interaction                    (au) =        -344.940429946132
  Standard error                        +/-           1.037683623786

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.252771971952
  Standard error                        +/-           0.056838577370

  Maximum distance from origin       (au) =           7.706077007388

  Particles affected per move       (%) :  99.9299


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.8401
 Acceptance ratio #2 <level 1>        (%)  =  51.8458
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1108
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0387
 Diffusion constant #1           (Bohr^2)  = 1.1119E-02
 Diffusion constant #2           (Bohr^2)  = 8.8424E-03
 Correlation time                 (steps)  = 4.3440E+00 +- 6.3068E-01
 Efficiency                  (au^-2 s^-1)  = 1.6773E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.892534206863
  Standard error                        +/-           0.015811055568

  Kinetic energy KEI (used in Total) (au) =         102.932469741582
  Standard error                        +/-           0.925538446054

  Kinetic energy TI                  (au) =         107.552846084181
  Standard error                        +/-           0.475383845570

  Kinetic energy FISQ                (au) =         112.173222426779
  Standard error                        +/-           0.335927248130

  Potential energy                   (au) =        -258.716590430286
  Standard error                        +/-           0.925974865247

  e-e interaction                    (au) =          78.145914982585
  Standard error                        +/-           0.101674976874

  e-n interaction                    (au) =        -336.862505412871
  Standard error                        +/-           0.965295739934

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.374671266488
  Standard error                        +/-           0.177628569762

  Maximum distance from origin       (au) =           7.970136092924

  Particles affected per move       (%) :  99.9968


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.6064
 Acceptance ratio #2 <level 1>        (%)  =  51.6935
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9042
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9725
 Diffusion constant #1           (Bohr^2)  = 1.1050E-02
 Diffusion constant #2           (Bohr^2)  = 8.6262E-03
 Correlation time                 (steps)  = 3.5315E+00 +- 3.9092E-01
 Efficiency                  (au^-2 s^-1)  = 1.6066E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.805090732701
  Standard error                        +/-           0.017963272880

  Kinetic energy KEI (used in Total) (au) =         111.784191886767
  Standard error                        +/-           1.052719654223

  Kinetic energy TI                  (au) =         112.679288493355
  Standard error                        +/-           0.623527559685

  Kinetic energy FISQ                (au) =         113.574385099942
  Standard error                        +/-           0.653566646392

  Potential energy                   (au) =        -267.480869101308
  Standard error                        +/-           1.050461425513

  e-e interaction                    (au) =          77.825476403077
  Standard error                        +/-           0.098147881030

  e-n interaction                    (au) =        -345.306345504386
  Standard error                        +/-           1.079521241555

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.471107523098
  Standard error                        +/-           0.162262444303

  Maximum distance from origin       (au) =           8.196453439923

  Particles affected per move       (%) :  99.9353


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.5974
 Acceptance ratio #2 <level 1>        (%)  =  52.0093
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8413
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2683
 Diffusion constant #1           (Bohr^2)  = 1.1261E-02
 Diffusion constant #2           (Bohr^2)  = 8.9646E-03
 Correlation time                 (steps)  = 3.8444E+00 +- 4.0916E-01
 Efficiency                  (au^-2 s^-1)  = 1.7445E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.874078071136
  Standard error                        +/-           0.016945893236

  Kinetic energy KEI (used in Total) (au) =         110.157218205293
  Standard error                        +/-           0.971640425284

  Kinetic energy TI                  (au) =         111.424380324275
  Standard error                        +/-           0.540700073618

  Kinetic energy FISQ                (au) =         112.691542443258
  Standard error                        +/-           0.504155826227

  Potential energy                   (au) =        -265.922882758270
  Standard error                        +/-           0.971975245707

  e-e interaction                    (au) =          78.502624603030
  Standard error                        +/-           0.096940914893

  e-n interaction                    (au) =        -344.425507361299
  Standard error                        +/-           1.002894189610

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.493451516458
  Standard error                        +/-           0.118279988485

  Maximum distance from origin       (au) =           8.442737436773

  Particles affected per move       (%) :  99.9514


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.6723
 Acceptance ratio #2 <level 1>        (%)  =  51.5563
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8652
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8028
 Diffusion constant #1           (Bohr^2)  = 1.0975E-02
 Diffusion constant #2           (Bohr^2)  = 9.0677E-03
 Correlation time                 (steps)  = 3.6053E+00 +- 4.2723E-01
 Efficiency                  (au^-2 s^-1)  = 1.7831E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.764399014799
  Standard error                        +/-           0.017996505748

  Kinetic energy KEI (used in Total) (au) =         124.442053181784
  Standard error                        +/-           1.558451113952

  Kinetic energy TI                  (au) =         119.128228664094
  Standard error                        +/-           0.850782340877

  Kinetic energy FISQ                (au) =         113.814404146404
  Standard error                        +/-           0.689399627143

  Potential energy                   (au) =        -280.098038678424
  Standard error                        +/-           1.557843095756

  e-e interaction                    (au) =          78.634203850343
  Standard error                        +/-           0.104902266715

  e-n interaction                    (au) =        -358.732242528767
  Standard error                        +/-           1.584321183610

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.558059928161
  Standard error                        +/-           0.114710857674

  Maximum distance from origin       (au) =           7.530107533905

  Particles affected per move       (%) :  99.9937


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.832611071949 +/- 0.005665567961      No correction
 -113.832611071949 +/- 0.011354881860      Correlation time method
 -113.832611071950 +/- 0.011531272195      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.832611071950 +/-       0.011531272195
    stderr:      0.011531272195 +/-       0.001178056548
    errfac:      2.019682905084 +/-       0.206334620457
    N_corr:      4.079119037089 +/-       0.833461011328
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.709447E-03   7.217325E-05
            2   6.764361E-03   1.209465E-04
            4   7.866128E-03   1.989672E-04
            8   9.217710E-03   3.299412E-04
           16   1.023065E-02   5.185482E-04
           32   1.088169E-02   7.820157E-04
           64   1.153127E-02   1.178057E-03  *** BEST ***
          128   1.263857E-02   1.845366E-03
          256   1.600565E-02   3.377809E-03
          512   1.514605E-02   4.736250E-03
         1024   1.715304E-02   8.457593E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.536611278750 +- 0.134914982366

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ==================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 9
 ==================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  9.63689191E-01    -5.60790280E-03     2.09090381E-01    -6.11633434E-01
     6.12411577E-01     4.37801608E-01    -1.67217413E+00     1.44409470E+00
    -3.83368744E-01     1.66649296E+00     1.56209175E-03    -1.29127612E-02
     4.42021290E-02    -9.30009580E-02     1.46402356E-01    -1.67733863E-01
     1.21273796E-01    -4.72466160E-02     7.43497975E-03 Bm  1.78106101E+00
    -1.46940706E-01     2.05730622E-01    -5.31073869E-01     6.31280515E-01
    -2.17523410E-01    -2.01289821E-01     3.53269423E-01    -6.94922564E-01
     6.63697313E-01    -2.01939191E-01 BP  5.54748386E+00     1.14665365E-04
    -4.43598032E-05    -1.11147171E-04     4.30063710E-05    -1.50517925E-05
     5.81863209E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.60111039E+00     4.99691312E-03     4.69856763E-03    -9.59843379E-03
     8.54396854E-03    -4.23488721E-03     1.28800463E-03    -2.33231839E-04
     1.97692962E-05     1.01363477E-02     3.83476470E-03    -1.11906467E-02
     1.54000352E-02    -1.19604943E-02     5.22090214E-03    -1.18822790E-03
     1.11202036E-04 JX  3.49701873E+00    -2.52144124E-02     2.74215339E-03
     2.00740405E-02    -2.68824231E-02     1.32323925E-02    -2.14467706E-03
 Jf  3.14098131E+00    -1.31299821E-04     8.33109658E-05    -3.54919781E-04
    -1.58869048E-03     6.18602812E-04    -2.53612821E-04     3.67245706E-04
     1.23793310E-04     1.07081490E-04    -4.55088904E-04     6.76742425E-04
    -5.56290077E-04    -2.98562365E-04     1.29751395E-04    -4.38261378E-05
    -1.06325237E-04     6.35421261E-05    -2.54748209E-05     1.47477730E-04
    -2.42503033E-04     3.68692230E-04    -1.65318445E-04     1.10835296E-05
     2.22248926E-04    -2.14263041E-05    -5.06892384E-06    -3.83695888E-05
    -2.71686415E-03     2.44752723E-03     3.09335854E-03    -2.26443023E-03
     8.43593098E-04     3.08508448E-03     2.82760538E-03    -6.95372507E-04
    -7.58853829E-05     1.35884882E-03    -1.35096705E-03    -8.72141450E-04
     8.88175872E-04    -7.57228564E-04     2.10749360E-04    -1.84615434E-04
     1.06654634E-03    -1.33282905E-03     3.54414539E-04     2.76706017E-03
    -1.00763734E-03     9.21297816E-06     5.77524374E-04    -9.78454298E-05
     4.44715532E-05

    Unreweighted variance of energy (a.u.)  :   1.362546E+00
           Unreweighted mean energy (a.u.)  :  -1.138168E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.49414592E-01    -8.44669827E-03     4.54375648E-01    -2.01058582E+00
     3.78014971E+00    -1.80362094E+00    -3.90895619E+00     5.61541276E+00
    -2.09349919E+00     1.61579464E+00     3.00246517E-03    -2.35156937E-02
     7.55695337E-02    -1.47499410E-01     2.01425640E-01    -1.94246406E-01
     1.24699395E-01    -4.73409832E-02     7.98621938E-03 Bm  1.78758898E+00
    -1.62485085E-01     2.65236961E-01    -6.11699098E-01     6.51825269E-01
    -2.07734139E-01    -1.28939184E-01     7.81027694E-02    -2.50612569E-01
     3.76102437E-01    -1.38074025E-01 BP  5.69485297E+00     9.48564758E-05
    -3.66816544E-05    -1.27334069E-04     4.93308326E-05     1.31260980E-06
    -5.73913830E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67471422E+00     4.73048407E-03     6.98189071E-03    -1.64365537E-02
     1.72822057E-02    -9.96464704E-03     3.23570953E-03    -5.53490677E-04
     3.93993896E-05     9.57227736E-03     2.77987354E-03    -8.29131699E-03
     1.12525435E-02    -8.65835020E-03     3.76376303E-03    -8.45318649E-04
     7.64716749E-05 JX  3.49073428E+00    -2.51499609E-02     4.55771200E-03
     1.84710263E-02    -2.75662708E-02     1.39233294E-02    -2.28550765E-03
 Jf  3.16995481E+00    -1.24144248E-04    -3.81882400E-04     1.66040266E-05
    -4.44258235E-04     6.63724509E-05    -1.61291894E-05     1.12314044E-03
     2.42211673E-04     1.32932522E-04    -4.26557059E-04     7.58470193E-04
    -1.38075223E-03     4.37923517E-04    -5.93159297E-05    -8.58860407E-04
     2.43096990E-04    -9.55959795E-05    -1.22807944E-04     3.16354552E-04
    -3.51563741E-04     3.32277524E-04    -2.47015160E-04     5.46145360E-05
     4.41243178E-04    -1.32173363E-04     4.67530395E-05    -2.84422908E-05
    -2.45310798E-03     2.25586543E-03     2.57119472E-03    -1.99274133E-03
     7.71685383E-04     2.79038149E-03     3.04010091E-03    -6.86141445E-04
    -8.80319610E-05     1.18141642E-03    -1.16620055E-03    -4.94245788E-04
     8.38077396E-04    -1.40463120E-03     3.05788884E-04    -2.02571709E-04
     1.04583711E-03    -1.25525113E-03     3.59532131E-04     2.37218125E-03
    -8.92257163E-04    -3.79822751E-06     6.18534010E-04    -1.06749677E-04
     4.60026039E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.362546E+00 ->   1.331024E+00
           Unreweighted mean energy (a.u.)  :  -1.138168E+02 ->  -1.138183E+02


 Writing parameters to correlation.out.9.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 3
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.28664445E-01    -1.00324770E-02     6.80166420E-01    -3.51616856E+00
     8.06479841E+00    -7.57032525E+00    -9.45292161E-01     6.16914091E+00
    -2.85764203E+00     1.64930572E+00     3.19556575E-03    -2.61640544E-02
     8.91217045E-02    -1.75911612E-01     2.19448011E-01    -1.75370616E-01
     8.95739531E-02    -2.81823323E-02     4.36808635E-03 Bm  1.78594595E+00
    -1.71046698E-01     3.03752503E-01    -6.91364254E-01     7.20376370E-01
    -2.28209008E-01    -1.35514321E-01     1.03181950E-01    -2.97164562E-01
     4.12379762E-01    -1.48174534E-01 BP  6.33652919E+00     7.42174608E-05
    -2.83762956E-05    -1.36565211E-04     5.08442609E-05     1.47122444E-05
    -5.24995389E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.64335206E+00     4.85771631E-03     8.00648346E-03    -1.96465070E-02
     2.17636833E-02    -1.33494295E-02     4.66998989E-03    -8.73557144E-04
     6.86964553E-05     9.85290122E-03     2.87480649E-03    -8.73106722E-03
     1.21274564E-02    -9.55304112E-03     4.24795200E-03    -9.78771693E-04
     9.13534807E-05 JX  3.48470756E+00    -2.51976865E-02     4.47516345E-03
     1.86476797E-02    -2.76724254E-02     1.39743619E-02    -2.29944439E-03
 Jf  3.14075017E+00    -1.34734407E-04    -4.20881849E-04     6.93306812E-05
    -5.19382729E-04     5.20571546E-05    -9.31463187E-06     1.22720839E-03
     4.22051674E-04     1.52087476E-04    -4.58444865E-04     8.09609252E-04
    -1.55860937E-03     5.74627458E-04    -4.45878427E-05    -1.12443264E-03
     2.91284989E-04    -1.10243453E-04    -1.44593718E-04     3.55334173E-04
    -3.81797706E-04     3.63630358E-04    -2.97214559E-04     6.04975733E-05
     5.31430330E-04    -1.53102063E-04     5.28563452E-05    -2.97299259E-05
    -2.60637635E-03     2.40867149E-03     2.75005847E-03    -2.12747447E-03
     8.16752451E-04     2.96195722E-03     3.23532982E-03    -7.28589009E-04
    -9.13983834E-05     1.23392959E-03    -1.24523176E-03    -5.19054914E-04
     8.95494325E-04    -1.48364969E-03     3.19371576E-04    -2.10814638E-04
     1.10942325E-03    -1.32648056E-03     3.84288259E-04     2.52258977E-03
    -9.56690548E-04    -3.27141727E-06     6.66288235E-04    -1.15132673E-04
     4.88524769E-05

 Rejected step:
 Variance  :   1.331024E+00 ->   1.540114E+00
 Energy    :  -1.138183E+02 ->  -1.138356E+02

 Current parameters:
 Be  9.15751995E-01    -8.99137110E-03     5.32546411E-01    -2.47265911E+00
     4.79627707E+00    -2.34213308E+00    -5.03587159E+00     7.29349940E+00
    -2.74538811E+00     1.64656810E+00     3.06336718E-03    -2.39333600E-02
     7.69714393E-02    -1.47255328E-01     1.90906606E-01    -1.73992692E-01
     1.09279992E-01    -4.25439577E-02     7.58377351E-03 Bm  1.78551310E+00
    -1.70387968E-01     3.02541954E-01    -6.89940566E-01     7.19683467E-01
    -2.28075903E-01    -1.33990924E-01     9.80544251E-02    -2.89260813E-01
     4.07566867E-01    -1.47175421E-01 BP  5.81549193E+00     8.66960881E-05
    -3.34241851E-05    -1.19453114E-04     4.64742915E-05     2.62860603E-06
    -1.19650089E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.65494405E+00     4.81610106E-03     7.17362738E-03    -1.69195673E-02
     1.78924558E-02    -1.04313505E-02     3.45553731E-03    -6.10053671E-04
     4.53850495E-05     9.75812874E-03     2.80357099E-03    -8.34453841E-03
     1.14144685E-02    -8.89573930E-03     3.92802738E-03    -9.00511613E-04
     8.37562679E-05 JX  3.48548081E+00    -2.52373549E-02     4.57170422E-03
     1.84865505E-02    -2.75852898E-02     1.39529073E-02    -2.29697057E-03
 Jf  3.15175121E+00    -1.31111670E-04    -3.91044205E-04     2.42591221E-05
    -5.00727801E-04     7.51724170E-05    -1.97299079E-05     1.15686542E-03
     2.96151775E-04     1.42473697E-04    -4.43464077E-04     7.82124321E-04
    -1.44015561E-03     4.67279248E-04    -4.99773360E-05    -9.20956062E-04
     2.47506403E-04    -9.51094146E-05    -1.31955520E-04     3.31820374E-04
    -3.63485354E-04     3.45678564E-04    -2.63465763E-04     5.57444552E-05
     4.65385515E-04    -1.35493716E-04     4.69761014E-05    -2.96158725E-05
    -2.54422301E-03     2.32940721E-03     2.69998130E-03    -2.06379382E-03
     7.90381573E-04     2.89414925E-03     3.09035042E-03    -7.12139288E-04
    -9.10436587E-05     1.20905543E-03    -1.19849523E-03    -5.21745106E-04
     8.56897084E-04    -1.39209866E-03     3.05669465E-04    -2.03148588E-04
     1.08412404E-03    -1.29432173E-03     3.72923572E-04     2.44304510E-03
    -9.16319252E-04    -3.23478093E-06     6.26660926E-04    -1.08315484E-04
     4.65737158E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.331024E+00 ->   1.319431E+00
           Unreweighted mean energy (a.u.)  :  -1.138183E+02 ->  -1.138180E+02


 Writing parameters to correlation.out.9.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 3

 Current parameters:
 Be  8.54699157E-01    -8.35804736E-03     6.03635247E-01    -3.05005415E+00
     6.31878512E+00    -3.27518152E+00    -7.53012148E+00     1.18838624E+01
    -5.01196432E+00     1.77567617E+00     2.28442261E-03    -1.99029001E-02
     6.53001771E-02    -1.18088662E-01     1.40995432E-01    -1.19206995E-01
     6.96754969E-02    -2.49302916E-02     4.02727913E-03 Bm  1.75942133E+00
    -1.66285740E-01     2.82169840E-01    -6.66406001E-01     7.12314097E-01
    -2.27169055E-01    -1.48959650E-01     1.61264874E-01    -4.07530576E-01
     4.76128891E-01    -1.54869235E-01 BP  6.51462978E+00     5.56714779E-05
    -2.14320426E-05    -7.69432657E-05     2.85274565E-05     5.19389817E-07
     1.37076526E-08 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.54577035E+00     5.14497678E-03     7.61208992E-03    -1.78439640E-02
     1.82730559E-02    -1.03377410E-02     3.40718081E-03    -6.26410905E-04
     5.16035869E-05     1.07096303E-02     3.16229054E-03    -8.79053750E-03
     1.15747110E-02    -8.88374322E-03     3.91232159E-03    -9.07917900E-04
     8.72975369E-05 JX  3.46579740E+00    -2.59981709E-02     4.17788519E-03
     1.87438844E-02    -2.79465672E-02     1.38478295E-02    -2.18054598E-03
 Jf  3.30313692E+00    -8.41396570E-05    -3.61587730E-04    -9.92203850E-06
    -2.50763138E-04     4.89742751E-05    -1.39284206E-05     1.07768110E-03
     2.20258042E-04     2.02623455E-04    -4.22462921E-04     8.11886915E-04
    -1.37672191E-03     4.69571158E-04    -5.10669068E-05    -9.88578697E-04
     2.55556164E-04    -8.78889306E-05    -1.88147884E-04     3.27758316E-04
    -3.50267204E-04     3.41833999E-04    -2.67415715E-04     5.38693579E-05
     4.64924668E-04    -1.27733562E-04     4.05661012E-05    -2.19529629E-05
    -2.27839746E-03     2.25757984E-03     2.57558973E-03    -2.06197911E-03
     8.10990211E-04     2.53455742E-03     3.03911693E-03    -5.38034056E-04
    -1.66565318E-05     1.19012448E-03    -1.09106532E-03    -5.13809438E-04
     8.46756802E-04    -1.37727198E-03     3.17457263E-04    -2.17100813E-04
     9.07259183E-04    -1.25849624E-03     3.77346549E-04     2.43445703E-03
    -9.32164451E-04     1.34902444E-06     6.18508872E-04    -1.04196185E-04
     4.57202471E-05

 Rejected step:
 Variance  :   1.319431E+00 ->   2.094342E+00
 Energy    :  -1.138180E+02 ->  -1.138491E+02

 Current parameters:
 Be  8.98931884E-01    -8.93048634E-03     5.52754596E-01    -2.61974641E+00
     5.16432529E+00    -2.56095752E+00    -5.60318345E+00     8.32433411E+00
    -3.24901260E+00     1.71116558E+00     2.90848522E-03    -2.26572272E-02
     7.12941454E-02    -1.31393068E-01     1.63536887E-01    -1.43543800E-01
     8.68398173E-02    -3.24169520E-02     5.51358714E-03 Bm  1.79044852E+00
    -1.68556511E-01     2.93159672E-01    -6.68536784E-01     7.02391749E-01
    -2.23712589E-01    -1.33971485E-01     9.92235562E-02    -2.90510628E-01
     4.06547380E-01    -1.46680035E-01 BP  5.89164042E+00     8.25444240E-05
    -3.17520457E-05    -1.13585009E-04     4.39011081E-05     2.32438137E-06
    -9.93304466E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.62115146E+00     4.94113757E-03     7.26457417E-03    -1.70771160E-02
     1.79439707E-02    -1.04108490E-02     3.44964013E-03    -6.14437055E-04
     4.67202822E-05     1.00388567E-02     2.86861628E-03    -8.42743738E-03
     1.14386675E-02    -8.88795735E-03     3.92579677E-03    -9.03482686E-04
     8.47499913E-05 JX  3.47410152E+00    -2.55130905E-02     4.47431766E-03
     1.85582217E-02    -2.76423911E-02     1.39585146E-02    -2.28850673E-03
 Jf  3.16906265E+00    -1.25666079E-04    -3.85493879E-04     2.20040572E-05
    -4.78212228E-04     7.31085567E-05    -1.97130749E-05     1.14524820E-03
     2.89676204E-04     1.50159903E-04    -4.41296528E-04     7.85258728E-04
    -1.43270592E-03     4.66896881E-04    -4.99476726E-05    -9.27758451E-04
     2.48268701E-04    -9.40750037E-05    -1.38326537E-04     3.30957601E-04
    -3.62087493E-04     3.46093905E-04    -2.63690970E-04     5.54951214E-05
     4.65411170E-04    -1.34918102E-04     4.64300153E-05    -2.87689348E-05
    -2.52079411E-03     2.32416569E-03     2.69277428E-03    -2.06605677E-03
     7.93467896E-04     2.85989308E-03     3.08562708E-03    -6.93445977E-04
    -8.24045061E-05     1.20921989E-03    -1.18802610E-03    -5.21487607E-04
     8.56210550E-04    -1.39200775E-03     3.06773033E-04    -2.04652761E-04
     1.06609074E-03    -1.29256074E-03     3.74144202E-04     2.44268469E-03
    -9.17565401E-04    -3.03028600E-06     6.26154595E-04    -1.07821266E-04
     4.64934011E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.319431E+00 ->   1.318949E+00
           Unreweighted mean energy (a.u.)  :  -1.138180E+02 ->  -1.138179E+02


 Writing parameters to correlation.out.9.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 7
 NL2SOL iteration     : 4

 Current parameters:
 Be  9.21136347E-01    -9.11193145E-03     5.30679434E-01    -2.43373346E+00
     4.68184133E+00    -2.30149631E+00    -4.83708232E+00     7.08645543E+00
    -2.70553438E+00     1.72400257E+00     2.99002074E-03    -2.28774684E-02
     7.08158669E-02    -1.28611028E-01     1.58447165E-01    -1.38370997E-01
     8.31730450E-02    -3.05872896E-02     5.07769343E-03 Bm  1.78601037E+00
    -1.69330535E-01     2.99942058E-01    -6.82992980E-01     7.13296582E-01
    -2.26114108E-01    -1.32679733E-01     9.53102117E-02    -2.83214127E-01
     4.01763757E-01    -1.45212019E-01 BP  5.89721135E+00     8.22834326E-05
    -3.16848921E-05    -1.12708516E-04     4.38170218E-05     2.28383531E-06
    -1.05631766E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67220245E+00     4.72604180E-03     7.14718027E-03    -1.69084625E-02
     1.79217450E-02    -1.04577744E-02     3.45859544E-03    -6.06401530E-04
     4.43225231E-05     9.60655097E-03     2.77282675E-03    -8.30637041E-03
     1.14076873E-02    -8.90448032E-03     3.93173505E-03    -8.99810453E-04
     8.33066346E-05 JX  3.45784696E+00    -2.57836693E-02     4.55400415E-03
     1.86183804E-02    -2.78851522E-02     1.41342169E-02    -2.32935905E-03
 Jf  3.15298767E+00    -1.30596531E-04    -3.92415875E-04     2.06865004E-05
    -4.98614968E-04     7.81262684E-05    -2.08076796E-05     1.16206572E-03
     2.96285996E-04     1.44026955E-04    -4.46750360E-04     7.85883759E-04
    -1.43404832E-03     4.70419256E-04    -4.90582721E-05    -9.29548786E-04
     2.47937548E-04    -9.47333701E-05    -1.30076832E-04     3.27991710E-04
    -3.60689196E-04     3.44182597E-04    -2.63096523E-04     5.51774875E-05
     4.65641490E-04    -1.35086204E-04     4.67544251E-05    -2.96350480E-05
    -2.54019489E-03     2.32395885E-03     2.70041331E-03    -2.06027814E-03
     7.88977584E-04     2.89152792E-03     3.08533768E-03    -7.10225270E-04
    -9.18899876E-05     1.20802613E-03    -1.19041069E-03    -5.20427698E-04
     8.57399981E-04    -1.39412902E-03     3.05795033E-04    -2.03206969E-04
     1.08327517E-03    -1.29538649E-03     3.75155073E-04     2.44084071E-03
    -9.16411492E-04    -3.54325562E-06     6.27349622E-04    -1.08300151E-04
     4.65807207E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.318949E+00 ->   1.318651E+00
           Unreweighted mean energy (a.u.)  :  -1.138179E+02 ->  -1.138179E+02


 Writing parameters to correlation.out.9.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m9s]

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 4
 Function evaluations : 12
 Variance reduced to  : 0.13186514E+01

 Writing parameters to correlation.out.9.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 10
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m11s remaining]
  DTVMC #1:   1.4496E-01 (optimized)
  DTVMC #2:   1.1802E-01 (optimized)
 Done. [total CPU time: 5m8s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.4477
 Acceptance ratio #2 <level 1>        (%)  =  52.1965
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7684
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.4243
 Diffusion constant #1           (Bohr^2)  = 1.1152E-02
 Diffusion constant #2           (Bohr^2)  = 9.2078E-03
 Correlation time                 (steps)  = 3.9327E+00 +- 4.8776E-01
 Efficiency                  (au^-2 s^-1)  = 1.5722E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.845108237101
  Standard error                        +/-           0.016784499108

  Kinetic energy KEI (used in Total) (au) =         101.877518472867
  Standard error                        +/-           0.921439135689

  Kinetic energy TI                  (au) =         106.834020061943
  Standard error                        +/-           0.489521230275

  Kinetic energy FISQ                (au) =         111.790521651019
  Standard error                        +/-           0.401351367092

  Potential energy                   (au) =        -257.614213191809
  Standard error                        +/-           0.920520760708

  e-e interaction                    (au) =          77.827932519828
  Standard error                        +/-           0.111930647868

  e-n interaction                    (au) =        -335.442145711637
  Standard error                        +/-           0.970720747166

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.349930909001
  Standard error                        +/-           0.132960692948

  Maximum distance from origin       (au) =           8.152642764104

  Particles affected per move       (%) :  99.9968


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.4197
 Acceptance ratio #2 <level 1>        (%)  =  52.0991
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7234
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.4068
 Diffusion constant #1           (Bohr^2)  = 1.0751E-02
 Diffusion constant #2           (Bohr^2)  = 9.3583E-03
 Correlation time                 (steps)  = 4.1697E+00 +- 5.8042E-01
 Efficiency                  (au^-2 s^-1)  = 1.9274E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.786025885362
  Standard error                        +/-           0.015849771218

  Kinetic energy KEI (used in Total) (au) =         109.832326514342
  Standard error                        +/-           0.756728091351

  Kinetic energy TI                  (au) =         111.587328343476
  Standard error                        +/-           0.511533726154

  Kinetic energy FISQ                (au) =         113.342330172609
  Standard error                        +/-           0.640157293545

  Potential energy                   (au) =        -265.509938881545
  Standard error                        +/-           0.754724642636

  e-e interaction                    (au) =          77.644113243835
  Standard error                        +/-           0.089417085055

  e-n interaction                    (au) =        -343.154052125380
  Standard error                        +/-           0.780102838520

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.246275959120
  Standard error                        +/-           0.052077418348

  Maximum distance from origin       (au) =           7.647096631256

  Particles affected per move       (%) :  99.9916


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.6074
 Acceptance ratio #2 <level 1>        (%)  =  51.5325
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8902
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8577
 Diffusion constant #1           (Bohr^2)  = 1.1140E-02
 Diffusion constant #2           (Bohr^2)  = 9.0081E-03
 Correlation time                 (steps)  = 3.5568E+00 +- 3.9336E-01
 Efficiency                  (au^-2 s^-1)  = 1.9457E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.834747695331
  Standard error                        +/-           0.016792778549

  Kinetic energy KEI (used in Total) (au) =         119.540426322593
  Standard error                        +/-           1.000721635136

  Kinetic energy TI                  (au) =         116.599884993613
  Standard error                        +/-           0.652797665033

  Kinetic energy FISQ                (au) =         113.659343664633
  Standard error                        +/-           0.887499022271

  Potential energy                   (au) =        -275.266760499764
  Standard error                        +/-           1.000070652338

  e-e interaction                    (au) =          78.696745767693
  Standard error                        +/-           0.108034817565

  e-n interaction                    (au) =        -353.963506267458
  Standard error                        +/-           0.999621428791

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.447317189439
  Standard error                        +/-           0.194192915973

  Maximum distance from origin       (au) =           7.970366383036

  Particles affected per move       (%) :  99.9841


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.5146
 Acceptance ratio #2 <level 1>        (%)  =  51.8046
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8143
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1722
 Diffusion constant #1           (Bohr^2)  = 1.1271E-02
 Diffusion constant #2           (Bohr^2)  = 9.2294E-03
 Correlation time                 (steps)  = 4.0860E+00 +- 6.0650E-01
 Efficiency                  (au^-2 s^-1)  = 1.2925E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.821706123675
  Standard error                        +/-           0.017920785834

  Kinetic energy KEI (used in Total) (au) =         112.240529118013
  Standard error                        +/-           1.260007655512

  Kinetic energy TI                  (au) =         113.368058565185
  Standard error                        +/-           0.891244424788

  Kinetic energy FISQ                (au) =         114.495588012358
  Standard error                        +/-           1.374453554772

  Potential energy                   (au) =        -267.953821723528
  Standard error                        +/-           1.258103433075

  e-e interaction                    (au) =          78.065435189372
  Standard error                        +/-           0.094478774373

  e-n interaction                    (au) =        -346.019256912901
  Standard error                        +/-           1.270638863859

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.580506202628
  Standard error                        +/-           0.130516740946

  Maximum distance from origin       (au) =           7.927768022190

  Particles affected per move       (%) :  99.9801


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.9139
 Acceptance ratio #2 <level 1>        (%)  =  52.0030
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1617
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.3020
 Diffusion constant #1           (Bohr^2)  = 1.0967E-02
 Diffusion constant #2           (Bohr^2)  = 8.9778E-03
 Correlation time                 (steps)  = 4.8280E+00 +- 6.4889E-01
 Efficiency                  (au^-2 s^-1)  = 1.6448E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.771022956102
  Standard error                        +/-           0.014161592891

  Kinetic energy KEI (used in Total) (au) =         101.510142248107
  Standard error                        +/-           0.745262284482

  Kinetic energy TI                  (au) =         107.408963575203
  Standard error                        +/-           0.499299303381

  Kinetic energy FISQ                (au) =         113.307784902299
  Standard error                        +/-           0.606021132044

  Potential energy                   (au) =        -257.172751686050
  Standard error                        +/-           0.746690275481

  e-e interaction                    (au) =          77.281500179069
  Standard error                        +/-           0.108622758100

  e-n interaction                    (au) =        -334.454251865119
  Standard error                        +/-           0.795425940106

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.261281230654
  Standard error                        +/-           0.064057806843

  Maximum distance from origin       (au) =           8.046861980304

  Particles affected per move       (%) :  99.9626


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.4796
 Acceptance ratio #2 <level 1>        (%)  =  51.8109
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8213
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1223
 Diffusion constant #1           (Bohr^2)  = 1.1748E-02
 Diffusion constant #2           (Bohr^2)  = 8.6141E-03
 Correlation time                 (steps)  = 5.3576E+00 +- 1.6617E+00
 Efficiency                  (au^-2 s^-1)  = 1.1011E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.790718361798
  Standard error                        +/-           0.016661890288

  Kinetic energy KEI (used in Total) (au) =         114.108756709294
  Standard error                        +/-           0.931086239135

  Kinetic energy TI                  (au) =         115.583053093924
  Standard error                        +/-           1.678029182129

  Kinetic energy FISQ                (au) =         117.057349478555
  Standard error                        +/-           3.176648415003

  Potential energy                   (au) =        -269.791061552932
  Standard error                        +/-           0.933262938081

  e-e interaction                    (au) =          77.386918869794
  Standard error                        +/-           0.104919149281

  e-n interaction                    (au) =        -347.177980422727
  Standard error                        +/-           0.971907396682

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.414907879935
  Standard error                        +/-           0.165192849602

  Maximum distance from origin       (au) =           7.561822133529

  Particles affected per move       (%) :  99.9811


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  52.1066
 Acceptance ratio #2 <level 1>        (%)  =  51.9232
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3984
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1735
 Diffusion constant #1           (Bohr^2)  = 1.1105E-02
 Diffusion constant #2           (Bohr^2)  = 9.1075E-03
 Correlation time                 (steps)  = 4.2562E+00 +- 5.1505E-01
 Efficiency                  (au^-2 s^-1)  = 1.8003E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.872993726779
  Standard error                        +/-           0.015372957136

  Kinetic energy KEI (used in Total) (au) =          99.587168665406
  Standard error                        +/-           0.895004947215

  Kinetic energy TI                  (au) =         106.453774696493
  Standard error                        +/-           0.534516794099

  Kinetic energy FISQ                (au) =         113.320380727580
  Standard error                        +/-           0.564438602414

  Potential energy                   (au) =        -255.351748874026
  Standard error                        +/-           0.894805908694

  e-e interaction                    (au) =          77.584840062347
  Standard error                        +/-           0.106326509869

  e-n interaction                    (au) =        -332.936588936373
  Standard error                        +/-           0.922384328971

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.307197208110
  Standard error                        +/-           0.073775427571

  Maximum distance from origin       (au) =           7.666152277464

  Particles affected per move       (%) :  99.9696


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.9319
 Acceptance ratio #2 <level 1>        (%)  =  51.6099
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2366
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9189
 Diffusion constant #1           (Bohr^2)  = 1.1307E-02
 Diffusion constant #2           (Bohr^2)  = 9.1284E-03
 Correlation time                 (steps)  = 5.0199E+00 +- 6.7990E-01
 Efficiency                  (au^-2 s^-1)  = 1.6106E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.837270797250
  Standard error                        +/-           0.016387314406

  Kinetic energy KEI (used in Total) (au) =         108.023287271465
  Standard error                        +/-           0.765065817608

  Kinetic energy TI                  (au) =         110.111206539959
  Standard error                        +/-           0.464054177132

  Kinetic energy FISQ                (au) =         112.199125808454
  Standard error                        +/-           0.442698277306

  Potential energy                   (au) =        -263.752144550556
  Standard error                        +/-           0.762353997055

  e-e interaction                    (au) =          77.384549701159
  Standard error                        +/-           0.095885012777

  e-n interaction                    (au) =        -341.136694251714
  Standard error                        +/-           0.795032921577

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.238862738844
  Standard error                        +/-           0.052504699320

  Maximum distance from origin       (au) =           7.658659420787

  Particles affected per move       (%) :  99.9984


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.9289
 Acceptance ratio #2 <level 1>        (%)  =  51.3379
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1627
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.6318
 Diffusion constant #1           (Bohr^2)  = 1.1052E-02
 Diffusion constant #2           (Bohr^2)  = 9.1081E-03
 Correlation time                 (steps)  = 3.3700E+00 +- 3.7080E-01
 Efficiency                  (au^-2 s^-1)  = 1.3311E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.833335872950
  Standard error                        +/-           0.020014657524

  Kinetic energy KEI (used in Total) (au) =         115.353486248215
  Standard error                        +/-           0.830651264169

  Kinetic energy TI                  (au) =         115.024295249011
  Standard error                        +/-           1.223354803742

  Kinetic energy FISQ                (au) =         114.695104249808
  Standard error                        +/-           2.401829112272

  Potential energy                   (au) =        -271.078408603005
  Standard error                        +/-           0.830231053136

  e-e interaction                    (au) =          78.320672943029
  Standard error                        +/-           0.087104913559

  e-n interaction                    (au) =        -349.399081546034
  Standard error                        +/-           0.844584501373

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.860656211108
  Standard error                        +/-           0.423298017887

  Maximum distance from origin       (au) =           7.457647380722

  Particles affected per move       (%) :  99.9949


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.7951
 Acceptance ratio #2 <level 1>        (%)  =  51.5276
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1278
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8852
 Diffusion constant #1           (Bohr^2)  = 1.1227E-02
 Diffusion constant #2           (Bohr^2)  = 9.4047E-03
 Correlation time                 (steps)  = 3.6463E+00 +- 4.1188E-01
 Efficiency                  (au^-2 s^-1)  = 1.9643E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.896939401632
  Standard error                        +/-           0.017003339298

  Kinetic energy KEI (used in Total) (au) =         104.383080141622
  Standard error                        +/-           0.723345475367

  Kinetic energy TI                  (au) =         109.336532373310
  Standard error                        +/-           0.598881898384

  Kinetic energy FISQ                (au) =         114.289984604998
  Standard error                        +/-           0.947951428813

  Potential energy                   (au) =        -260.171606025095
  Standard error                        +/-           0.726783664209

  e-e interaction                    (au) =          78.156814360155
  Standard error                        +/-           0.079742793846

  e-n interaction                    (au) =        -338.328420385250
  Standard error                        +/-           0.734421050819

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.398448923504
  Standard error                        +/-           0.121383715379

  Maximum distance from origin       (au) =           7.895012427515

  Particles affected per move       (%) :  99.9897


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.828986905798 +/- 0.005301933918      No correction
 -113.828986905798 +/- 0.010894552163      Correlation time method
 -113.828986905798 +/- 0.009866366672      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.828986905798 +/-       0.009866366672
    stderr:      0.009866366672 +/-       0.001007966655
    errfac:      1.849958971937 +/-       0.188995302864
    N_corr:      3.422348197849 +/-       0.699267112374
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.333289E-03   6.741823E-05
            2   6.317728E-03   1.129608E-04
            4   7.456203E-03   1.885985E-04
            8   8.668912E-03   3.102974E-04
           16   9.297246E-03   4.712377E-04
           32   9.165155E-03   6.586567E-04
           64   9.866367E-03   1.007967E-03  *** BEST ***
          128   1.169405E-02   1.707456E-03
          256   1.181415E-02   2.493241E-03
          512   1.228060E-02   3.840207E-03
         1024   1.214755E-02   5.989556E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.410538445234 +- 0.060193953146

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 10
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  9.21136347E-01    -9.11193145E-03     5.30679434E-01    -2.43373346E+00
     4.68184133E+00    -2.30149631E+00    -4.83708232E+00     7.08645543E+00
    -2.70553438E+00     1.72400257E+00     2.99002074E-03    -2.28774684E-02
     7.08158669E-02    -1.28611028E-01     1.58447165E-01    -1.38370997E-01
     8.31730450E-02    -3.05872896E-02     5.07769343E-03 Bm  1.78601037E+00
    -1.69330535E-01     2.99942058E-01    -6.82992980E-01     7.13296582E-01
    -2.26114108E-01    -1.32679733E-01     9.53102117E-02    -2.83214127E-01
     4.01763757E-01    -1.45212019E-01 BP  5.89721135E+00     8.22834326E-05
    -3.16848921E-05    -1.12708516E-04     4.38170218E-05     2.28383531E-06
    -1.05631766E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67220245E+00     4.72604180E-03     7.14718027E-03    -1.69084625E-02
     1.79217450E-02    -1.04577744E-02     3.45859544E-03    -6.06401530E-04
     4.43225231E-05     9.60655097E-03     2.77282675E-03    -8.30637041E-03
     1.14076873E-02    -8.90448032E-03     3.93173505E-03    -8.99810453E-04
     8.33066346E-05 JX  3.45784696E+00    -2.57836693E-02     4.55400415E-03
     1.86183804E-02    -2.78851522E-02     1.41342169E-02    -2.32935905E-03
 Jf  3.15298767E+00    -1.30596531E-04    -3.92415875E-04     2.06865004E-05
    -4.98614968E-04     7.81262684E-05    -2.08076796E-05     1.16206572E-03
     2.96285996E-04     1.44026955E-04    -4.46750360E-04     7.85883759E-04
    -1.43404832E-03     4.70419256E-04    -4.90582721E-05    -9.29548786E-04
     2.47937548E-04    -9.47333701E-05    -1.30076832E-04     3.27991710E-04
    -3.60689196E-04     3.44182597E-04    -2.63096523E-04     5.51774875E-05
     4.65641490E-04    -1.35086204E-04     4.67544251E-05    -2.96350480E-05
    -2.54019489E-03     2.32395885E-03     2.70041331E-03    -2.06027814E-03
     7.88977584E-04     2.89152792E-03     3.08533768E-03    -7.10225270E-04
    -9.18899876E-05     1.20802613E-03    -1.19041069E-03    -5.20427698E-04
     8.57399981E-04    -1.39412902E-03     3.05795033E-04    -2.03206969E-04
     1.08327517E-03    -1.29538649E-03     3.75155073E-04     2.44084071E-03
    -9.16411492E-04    -3.54325562E-06     6.27349622E-04    -1.08300151E-04
     4.65807207E-05

    Unreweighted variance of energy (a.u.)  :   1.711752E+00
           Unreweighted mean energy (a.u.)  :  -1.138360E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.67560136E-01    -3.75577084E-03    -7.51692054E-02     5.86844978E-01
    -5.91829395E-01    -1.29296300E+00     2.31074223E+00    -6.03459100E-01
    -3.30652487E-01     1.91907035E+00     2.43121166E-03    -1.81156108E-02
     5.34952551E-02    -8.87116349E-02     1.00332185E-01    -8.21042400E-02
     4.58638407E-02    -1.53179102E-02     2.28319041E-03 Bm  1.97388288E+00
    -1.56644114E-01     2.97340291E-01    -6.94807170E-01     6.50818194E-01
    -1.98584908E-01    -1.56023742E-01     2.21640693E-01    -4.65581813E-01
     4.77962814E-01    -1.58008434E-01 BP  5.21217554E+00     1.55578372E-04
    -6.15022781E-05    -2.02217958E-04     7.73009141E-05     1.62434039E-06
    -3.15624674E-08 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67686654E+00     5.39343374E-03     7.44785097E-03    -1.90999618E-02
     2.18182320E-02    -1.43976004E-02     5.55096677E-03    -1.14303230E-03
     9.60182445E-05     9.12905414E-03     4.97161325E-03    -1.28015549E-02
     1.70458476E-02    -1.33519556E-02     6.00980519E-03    -1.41185883E-03
     1.34266694E-04 JX  3.47807298E+00    -2.40016290E-02     2.49865191E-03
     2.14118726E-02    -2.54011485E-02     1.15444759E-02    -1.81113056E-03
 Jf  3.15874521E+00    -8.22695661E-05    -1.85697445E-04     1.81222934E-05
    -6.23352646E-04    -6.72659272E-05     6.79803976E-05     3.34936154E-04
     2.39903527E-04     5.00592877E-06    -2.61107687E-04     5.59205726E-04
    -7.93214631E-04    -4.11484500E-04     5.92065447E-05    -3.07690304E-04
     2.07303231E-04    -1.18145284E-04    -6.59857492E-05     1.61890131E-04
    -2.38267322E-04     3.85052549E-04    -4.76429617E-05     5.30015053E-06
     1.59162395E-04    -7.57426077E-05     3.91416237E-05    -2.89230385E-05
    -2.45240316E-03     2.17153635E-03     2.32819542E-03    -1.72061495E-03
     5.35898785E-04     2.85926443E-03     2.73138475E-03    -5.87909393E-04
    -6.57148569E-05     1.28404585E-03    -1.43787788E-03    -5.75823705E-04
     7.92749780E-04    -1.05884827E-03     1.90565654E-04    -1.21626820E-04
     8.74357918E-04    -1.12008189E-03     2.72941567E-04     2.39189918E-03
    -8.97625156E-04     6.69752041E-06     6.01901723E-04    -9.67762972E-05
     3.39782042E-05

 Rejected step:
 Variance  :   1.711752E+00 ->   3.499740E+00
 Energy    :  -1.138360E+02 ->  -1.138560E+02

 Current parameters:
 Be  9.42093433E-01    -8.94694758E-03     4.76216168E-01    -2.11758851E+00
     4.11672654E+00    -2.29634954E+00    -4.01719256E+00     6.56476350E+00
    -2.70588938E+00     1.92734084E+00     2.60457947E-03    -1.94844287E-02
     5.69901559E-02    -9.24207364E-02     1.00959849E-01    -7.93091904E-02
     4.27373147E-02    -1.39565389E-02     2.06685849E-03 Bm  1.95921231E+00
    -1.53672141E-01     2.59839334E-01    -6.37734362E-01     6.13815486E-01
    -1.89336103E-01    -1.48291655E-01     1.68247065E-01    -3.81613060E-01
     4.26529985E-01    -1.46892711E-01 BP  6.01245491E+00     7.80910221E-05
    -2.98606131E-05    -1.04128627E-04     3.92042082E-05     2.87934466E-06
    -8.83654688E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72193686E+00     5.15444487E-03     7.08341015E-03    -1.74350268E-02
     1.82319088E-02    -1.05147415E-02     3.45827889E-03    -6.02869811E-04
     4.24102405E-05     8.78891947E-03     4.03276534E-03    -9.34500534E-03
     1.16704407E-02    -8.88299176E-03     3.94994008E-03    -9.17560708E-04
     8.61929876E-05 JX  3.45815578E+00    -2.40402611E-02     2.35338754E-03
     2.26472567E-02    -2.74543091E-02     1.27112116E-02    -2.02623038E-03
 Jf  3.12643996E+00    -1.02623249E-04    -2.99849275E-04     4.86568546E-05
    -7.04198091E-04     3.51641197E-05     4.71336382E-06     9.12210215E-04
     4.02574600E-04     1.20447083E-04    -4.47514176E-04     7.85047581E-04
    -1.44761356E-03     2.91343042E-04    -1.71774758E-05    -9.74534730E-04
     2.88266360E-04    -1.13719054E-04    -1.62399725E-04     3.59047436E-04
    -3.76893314E-04     3.89649609E-04    -2.35230588E-04     4.63434518E-05
     4.48175031E-04    -1.35599694E-04     4.88667740E-05    -2.74440688E-05
    -2.61995238E-03     2.38545644E-03     2.57648851E-03    -1.94310411E-03
     6.34295461E-04     2.97287865E-03     3.12755697E-03    -6.69613027E-04
    -3.03726917E-05     1.23099720E-03    -1.32739697E-03    -5.40410029E-04
     8.62780810E-04    -1.40076704E-03     2.95048743E-04    -1.75717052E-04
     1.00885018E-03    -1.27809875E-03     3.70977255E-04     2.45621481E-03
    -9.10141942E-04    -4.43628668E-06     6.26584423E-04    -1.11267348E-04
     4.51611524E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.711752E+00 ->   1.654284E+00
           Unreweighted mean energy (a.u.)  :  -1.138360E+02 ->  -1.138365E+02


 Writing parameters to correlation.out.10.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  1.08610834E+00    -6.84018480E-03     2.57234538E-01    -1.01764794E+00
     2.03054069E+00    -1.52046488E+00    -1.41016090E+00     3.05064615E+00
    -1.37333334E+00     1.93171471E+00     2.62469056E-03    -1.93601140E-02
     5.67294177E-02    -9.20188548E-02     9.98755367E-02    -7.83966006E-02
     4.23012410E-02    -1.35954253E-02     1.93261432E-03 Bm  1.97059203E+00
    -1.06883683E-01     7.77338468E-02    -2.96401009E-01     3.22189373E-01
    -9.46500686E-02    -1.04088312E-01    -1.10116049E-02    -2.26220637E-02
     1.02185484E-01    -4.27606069E-02 BP  6.07619796E+00     7.55216857E-05
    -2.88893713E-05    -9.96497733E-05     3.74923808E-05     2.58210695E-06
    -7.72151801E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70498448E+00     5.18039452E-03     7.41085102E-03    -1.77967850E-02
     1.82853105E-02    -1.06065262E-02     3.62004234E-03    -6.76315261E-04
     5.30609790E-05     8.85960037E-03     4.54137011E-03    -1.03614329E-02
     1.25227927E-02    -9.27030437E-03     4.06496657E-03    -9.41105194E-04
     8.86443391E-05 JX  3.46838453E+00    -2.29299490E-02     2.64369861E-03
     2.17968233E-02    -2.60813345E-02     1.18055104E-02    -1.84912709E-03
 Jf  3.14657751E+00    -7.93537404E-05    -2.90116007E-04     1.15088150E-04
    -5.90701220E-04    -1.24067907E-04     8.94890017E-05     6.54188298E-04
     5.55044636E-04     8.99742092E-05    -3.39971676E-04     6.94597271E-04
    -1.29866483E-03     4.42802114E-05     4.61455398E-05    -1.01567434E-03
     3.47823569E-04    -1.56717329E-04    -1.65177078E-04     2.99798205E-04
    -3.27332814E-04     4.09253562E-04    -1.69223905E-04     2.56987321E-05
     3.96435040E-04    -1.33996314E-04     5.52798169E-05    -2.50662184E-05
    -2.51366088E-03     2.30421206E-03     2.32990798E-03    -1.80573090E-03
     5.64730855E-04     2.89325829E-03     3.04622705E-03    -6.07856557E-04
    -3.66595995E-05     1.26405271E-03    -1.43149168E-03    -5.15755203E-04
     8.46025368E-04    -1.34999713E-03     2.54561700E-04    -1.47935860E-04
     9.14797142E-04    -1.19028436E-03     3.19065482E-04     2.43294519E-03
    -9.20805801E-04     1.14423658E-06     6.52165676E-04    -1.11369160E-04
     4.09109828E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.654284E+00 ->   1.563074E+00
           Unreweighted mean energy (a.u.)  :  -1.138365E+02 ->  -1.138348E+02


 Writing parameters to correlation.out.10.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 3

 Current parameters:
 Be  1.08564804E+00    -7.02247770E-03     2.54230373E-01    -9.00815800E-01
     1.49737252E+00    -8.60192717E-01    -9.96372250E-01     1.75658867E+00
    -7.33042870E-01     1.84359856E+00     2.68659541E-03    -2.03001853E-02
     6.19885818E-02    -1.05881154E-01     1.20107928E-01    -9.75983770E-02
     5.57802754E-02    -1.99842582E-02     3.30983308E-03 Bm  1.99611352E+00
    -9.19275479E-02     3.46893305E-02    -2.23302618E-01     2.72544331E-01
    -8.25818835E-02    -9.02223330E-02    -5.69789409E-02     6.11238849E-02
     3.73368777E-02    -2.48330733E-02 BP  6.34173183E+00     6.57204003E-05
    -2.51265706E-05    -8.49008102E-05     3.17664002E-05     1.67320759E-06
    -4.18625664E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69126523E+00     5.24791537E-03     7.27775154E-03    -1.79094851E-02
     1.94749087E-02    -1.22531688E-02     4.56798288E-03    -9.25913595E-04
     7.79315141E-05     8.92922869E-03     4.94819296E-03    -1.18022831E-02
     1.47287344E-02    -1.10718569E-02     4.88458098E-03    -1.13645913E-03
     1.07655523E-04 JX  3.48539717E+00    -2.23124765E-02     2.81514228E-03
     2.08235821E-02    -2.48605394E-02     1.12154428E-02    -1.75258219E-03
 Jf  3.16564687E+00    -7.15839400E-05    -2.78232723E-04     1.60585238E-04
    -4.77225237E-04    -2.09608139E-04     1.36510939E-04     4.68831239E-04
     5.80516125E-04     3.17946069E-05    -2.47926306E-04     5.61506764E-04
    -1.01012562E-03    -1.14977377E-04     7.72805625E-05    -8.40630871E-04
     3.21067098E-04    -1.58658532E-04    -1.02138780E-04     1.94864802E-04
    -2.46013439E-04     3.85189503E-04    -1.13918319E-04     1.17017778E-05
     2.96710487E-04    -1.10746752E-04     5.08429984E-05    -2.21265717E-05
    -2.41395510E-03     2.16651132E-03     2.25877555E-03    -1.70602143E-03
     5.31235539E-04     2.82591273E-03     2.79520479E-03    -5.68548646E-04
    -6.37398718E-05     1.27775741E-03    -1.43798880E-03    -5.05794215E-04
     7.90162950E-04    -1.19969739E-03     2.22363900E-04    -1.31544704E-04
     8.56167715E-04    -1.11031655E-03     2.73326675E-04     2.35927227E-03
    -9.00096800E-04     7.61889543E-06     6.34441096E-04    -1.07465637E-04
     3.79177161E-05

 Rejected step:
 Variance  :   1.563074E+00 ->   1.564610E+00
 Energy    :  -1.138348E+02 ->  -1.138374E+02

 Current parameters:
 Be  1.08638972E+00    -7.01236672E-03     2.76898740E-01    -1.06808428E+00
     1.91100707E+00    -1.15341287E+00    -1.32931366E+00     2.35536213E+00
    -9.74988855E-01     1.84512131E+00     2.69652743E-03    -2.03172721E-02
     6.18692216E-02    -1.05742494E-01     1.20463375E-01    -9.79076234E-02
     5.53015314E-02    -1.93903385E-02     3.14072467E-03 Bm  1.99642548E+00
    -9.62392603E-02     4.95062028E-02    -2.45811020E-01     2.87674545E-01
    -8.61724390E-02    -9.29477946E-02    -4.83232974E-02     4.82658120E-02
     4.60962123E-02    -2.69551366E-02 BP  6.23342262E+00     6.92172526E-05
    -2.64573336E-05    -9.01440810E-05     3.37519320E-05     2.01200544E-06
    -5.32123842E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69958914E+00     5.21529643E-03     7.18862964E-03    -1.74307993E-02
     1.84080382E-02    -1.11648931E-02     4.01408151E-03    -7.88419845E-04
     6.46458033E-05     8.87633104E-03     4.77555199E-03    -1.10857492E-02
     1.35003934E-02    -1.00015777E-02     4.38448733E-03    -1.01700810E-03
     9.61798352E-05 JX  3.48439732E+00    -2.23436933E-02     2.82716922E-03
     2.09687072E-02    -2.50583788E-02     1.13018696E-02    -1.76542061E-03
 Jf  3.15911176E+00    -7.37033069E-05    -2.96811459E-04     1.61674634E-04
    -4.84843601E-04    -2.05985697E-04     1.33559742E-04     5.51803376E-04
     6.06122267E-04     5.62189971E-05    -2.78961878E-04     6.12846626E-04
    -1.15098013E-03    -2.86239546E-05     6.66832513E-05    -9.70416083E-04
     3.51253296E-04    -1.67360412E-04    -1.32990846E-04     2.41309812E-04
    -2.79905708E-04     3.97018814E-04    -1.41240850E-04     1.78383910E-05
     3.50758121E-04    -1.25330290E-04     5.51733216E-05    -2.24938962E-05
    -2.44909188E-03     2.22658683E-03     2.26881215E-03    -1.74379953E-03
     5.43452857E-04     2.85083767E-03     2.92093577E-03    -5.81359971E-04
    -5.44455986E-05     1.27667589E-03    -1.44822038E-03    -5.05115012E-04
     8.20793964E-04    -1.27913063E-03     2.34813735E-04    -1.37432386E-04
     8.75625814E-04    -1.13949823E-03     2.89527811E-04     2.40273663E-03
    -9.19941227E-04     5.61014280E-06     6.55115993E-04    -1.10905348E-04
     3.93121367E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.563074E+00 ->   1.557738E+00
           Unreweighted mean energy (a.u.)  :  -1.138348E+02 ->  -1.138368E+02


 Writing parameters to correlation.out.10.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 7
 NL2SOL iteration     : 4

 Current parameters:
 Be  1.08583386E+00    -7.21271810E-03     2.71586105E-01    -9.90872614E-01
     1.67854249E+00    -9.69033597E-01    -1.12065244E+00     1.95978777E+00
    -8.11239111E-01     1.90698435E+00     2.62822488E-03    -1.95453077E-02
     5.82470201E-02    -9.61446751E-02     1.05182690E-01    -8.28150861E-02
     4.55759247E-02    -1.54044823E-02     2.36500327E-03 Bm  2.02748913E+00
    -8.35888820E-02     6.13990934E-04    -1.58555743E-01     2.24868286E-01
    -7.07579847E-02    -8.06228053E-02    -9.66897463E-02     1.37599936E-01
    -2.14029632E-02    -9.40765945E-03 BP  6.47492187E+00     6.07044568E-05
    -2.32100261E-05    -7.74138391E-05     2.89341967E-05     1.17059763E-06
    -2.33789661E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70728588E+00     5.17971901E-03     7.02910596E-03    -1.73337656E-02
     1.88415638E-02    -1.18368465E-02     4.39945981E-03    -8.87627808E-04
     7.42131951E-05     8.81289742E-03     4.98007706E-03    -1.18697555E-02
     1.47386950E-02    -1.09642749E-02     4.77876646E-03    -1.09924749E-03
     1.03084677E-04 JX  3.47518439E+00    -2.24338381E-02     2.60466643E-03
     2.13409951E-02    -2.54343412E-02     1.15126396E-02    -1.80671644E-03
 Jf  3.16214715E+00    -7.15199543E-05    -2.81070860E-04     1.63902583E-04
    -4.73815492E-04    -2.14374578E-04     1.39733203E-04     4.57932057E-04
     5.77179054E-04     2.32438538E-05    -2.43413364E-04     5.52528594E-04
    -9.80087856E-04    -1.37153967E-04     7.92483660E-05    -8.12424229E-04
     3.16426500E-04    -1.58032981E-04    -9.05362713E-05     1.81571312E-04
    -2.37622678E-04     3.84700700E-04    -1.06306106E-04     1.00820173E-05
     2.82601827E-04    -1.07585140E-04     5.02222659E-05    -2.22644432E-05
    -2.42551050E-03     2.16175781E-03     2.25825359E-03    -1.69492940E-03
     5.21863980E-04     2.84866613E-03     2.77798986E-03    -5.67622328E-04
    -6.93062400E-05     1.29296410E-03    -1.45531272E-03    -5.14472642E-04
     7.88626723E-04    -1.18448508E-03     2.18064249E-04    -1.28517900E-04
     8.55233516E-04    -1.10789923E-03     2.68781013E-04     2.36604432E-03
    -9.00920670E-04     8.00842328E-06     6.34571969E-04    -1.07431835E-04
     3.76428712E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.557738E+00 ->   1.562524E+00
           Unreweighted mean energy (a.u.)  :  -1.138368E+02 ->  -1.138394E+02


 Writing parameters to correlation.out.10.

 Current parameters:
 Be  7.91820240E-01    -1.38038085E-02     9.00864311E-01    -3.02601201E+00
     5.42638139E+00    -6.30238227E+00    -6.06500563E+00     2.67757922E+01
    -1.84380656E+01     2.51843477E+00     3.38633215E-03    -1.62873471E-02
     3.43967522E-02    -4.16250625E-02     3.41382001E-02    -2.06896534E-02
     8.69680118E-03    -2.15592944E-03     2.38647915E-04 Bm  1.67109833E+00
    -1.24075628E-01     9.56483773E-02    -7.07382002E-01     5.67345771E-01
    -8.41159184E-02    -9.27224896E-02    -7.46149727E-02    -1.33253765E-01
     2.51117994E-01    -1.11993069E-01 BP  1.48086230E+01     4.04901124E-07
    -9.51576021E-07    -3.38575859E-06     7.54912841E-07    -6.04199922E-08
     4.95654155E-08 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.65895829E+00     2.20090447E-03     6.16708298E-03    -1.68813217E-02
     1.87486154E-02    -1.13438011E-02     3.93348815E-03    -7.59865972E-04
     6.43507088E-05     7.74559964E-03     2.49934108E-03    -9.61589047E-03
     1.34465564E-02    -1.04738949E-02     4.39554719E-03    -9.08400117E-04
     7.25299763E-05 JX  3.59511677E+00    -2.91327276E-02    -1.52773324E-03
     1.65193943E-02    -2.27626067E-02     1.14989424E-02    -1.80778115E-03
 Jf  2.42543794E+00    -4.03216094E-04    -4.87150693E-04     1.47907566E-04
    -1.36435705E-03    -4.17602323E-05    -5.35441276E-05     1.13982079E-03
     7.02700418E-04     3.43734585E-05    -6.76415222E-04     8.11582640E-04
    -1.37584157E-03     6.26561572E-05     1.37019116E-05    -9.04059950E-04
     3.74238413E-04    -1.36792160E-04     2.15697249E-05     2.81230809E-04
    -2.95311618E-04     5.19351982E-04    -1.83769134E-04     3.39286177E-05
     3.18842899E-04    -1.34289044E-04     5.54214988E-05    -1.50886397E-04
    -3.78460007E-03     2.58285803E-03     2.74463331E-03    -1.44046771E-03
    -7.11168745E-05     4.71074371E-03     2.96911570E-03    -1.25694183E-03
    -3.34703052E-04     1.27103864E-03    -1.98602834E-03    -3.98863345E-04
     7.93435044E-04    -1.18868491E-03     2.27628092E-04    -4.61215182E-05
     1.53772802E-03    -1.25273168E-03     3.45374313E-04     2.50006282E-03
    -9.17841529E-04     1.39071425E-05     6.17547034E-04    -1.38406870E-04
     4.47252643E-05

 Rejected step:
 Variance  :   1.562524E+00 ->   1.988419E+02
 Energy    :  -1.138394E+02 ->  -1.164741E+02

 Current parameters:
 Be  1.08697662E+00    -7.10800315E-03     2.79198233E-01    -1.06832151E+00
     1.89386932E+00    -1.13162582E+00    -1.31192552E+00     2.31300851E+00
    -9.56592439E-01     1.90553121E+00     2.63246241E-03    -1.95478065E-02
     5.82106813E-02    -9.62325001E-02     1.05637238E-01    -8.33029211E-02
     4.57422901E-02    -1.53999890E-02     2.35717550E-03 Bm  2.02756379E+00
    -9.35988478E-02     4.03903928E-02    -2.18593073E-01     2.62888334E-01
    -7.92196532E-02    -8.94080735E-02    -6.02198114E-02     8.05759475E-02
     1.56961463E-02    -1.78152269E-02 BP  6.25908131E+00     6.82168532E-05
    -2.60722480E-05    -8.86242083E-05     3.31759478E-05     1.92638820E-06
    -4.95909752E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.71233462E+00     5.15423521E-03     7.10367517E-03    -1.73314228E-02
     1.84078686E-02    -1.12145666E-02     4.04074442E-03    -7.93448523E-04
     6.48683707E-05     8.78496346E-03     4.79587222E-03    -1.11672874E-02
     1.36503489E-02    -1.00996647E-02     4.40632209E-03    -1.01628478E-03
     9.55739279E-05 JX  3.47670344E+00    -2.24366336E-02     2.77789032E-03
     2.09365421E-02    -2.50435987E-02     1.13436964E-02    -1.78074578E-03
 Jf  3.15730308E+00    -7.34629469E-05    -3.00947848E-04     1.66784087E-04
    -4.77079864E-04    -2.12265851E-04     1.37335240E-04     5.46919672E-04
     6.10612728E-04     5.11184557E-05    -2.75845769E-04     6.06267331E-04
    -1.13350668E-03    -3.62103266E-05     6.85471569E-05    -9.64092482E-04
     3.50753311E-04    -1.67887106E-04    -1.25876331E-04     2.32734806E-04
    -2.73720341E-04     3.96180603E-04    -1.37682629E-04     1.68269711E-05
     3.44432400E-04    -1.24004028E-04     5.50584629E-05    -2.26188558E-05
    -2.45100159E-03     2.21929548E-03     2.25656547E-03    -1.73009764E-03
     5.35069382E-04     2.85955236E-03     2.90919870E-03    -5.80094312E-04
    -5.78750069E-05     1.28330196E-03    -1.45439479E-03    -5.05409424E-04
     8.18633079E-04    -1.27362671E-03     2.31850462E-04    -1.34962414E-04
     8.74131010E-04    -1.13665645E-03     2.86900007E-04     2.40026001E-03
    -9.18774497E-04     5.76226775E-06     6.55214019E-04    -1.10822276E-04
     3.90519964E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.562524E+00 ->   1.556145E+00
           Unreweighted mean energy (a.u.)  :  -1.138394E+02 ->  -1.138386E+02


 Writing parameters to correlation.out.10.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 10
 NL2SOL iteration     : 5

 Current parameters:
 Be  1.08760526E+00    -7.17127621E-03     2.80678284E-01    -1.06804516E+00
     1.88041864E+00    -1.11310920E+00    -1.29908364E+00     2.27446515E+00
    -9.37334490E-01     1.90401508E+00     2.63226528E-03    -1.95794764E-02
     5.83601736E-02    -9.65002179E-02     1.05939055E-01    -8.36245073E-02
     4.59845885E-02    -1.54720819E-02     2.35678403E-03 Bm  2.05477591E+00
    -8.86369661E-02     2.03901043E-02    -1.80772963E-01     2.33859374E-01
    -7.17723493E-02    -8.30667264E-02    -9.09690090E-02     1.45142544E-01
    -3.79341400E-02    -2.46067416E-03 BP  6.27759926E+00     6.74925748E-05
    -2.57936134E-05    -8.75570935E-05     3.27852748E-05     1.83785498E-06
    -4.68988777E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72487143E+00     5.11747511E-03     7.07295505E-03    -1.72762593E-02
     1.83887825E-02    -1.12370846E-02     4.06427725E-03    -8.01610287E-04
     6.59145036E-05     8.69050260E-03     4.78604832E-03    -1.12093040E-02
     1.37293541E-02    -1.01537410E-02     4.42343914E-03    -1.01822021E-03
     9.54804714E-05 JX  3.47527179E+00    -2.24844652E-02     2.65614521E-03
     2.10590547E-02    -2.50363270E-02     1.13136024E-02    -1.77487407E-03
 Jf  3.15939830E+00    -7.22909999E-05    -3.01466762E-04     1.70733501E-04
    -4.68542483E-04    -2.16677749E-04     1.38981104E-04     5.40185953E-04
     6.14844775E-04     4.93173228E-05    -2.71011742E-04     5.99823413E-04
    -1.12161710E-03    -4.41678320E-05     7.05682703E-05    -9.59816927E-04
     3.50246445E-04    -1.67859636E-04    -1.23395215E-04     2.26980350E-04
    -2.68908302E-04     3.95865290E-04    -1.34622221E-04     1.59692380E-05
     3.39883729E-04    -1.23042462E-04     5.48479844E-05    -2.33344030E-05
    -2.44525510E-03     2.21209081E-03     2.25105235E-03    -1.72381066E-03
     5.32987524E-04     2.85409163E-03     2.89846953E-03    -5.77175904E-04
    -5.87476743E-05     1.28420322E-03    -1.45149200E-03    -5.06757629E-04
     8.16817120E-04    -1.26855730E-03     2.30502036E-04    -1.34125939E-04
     8.71061506E-04    -1.13412644E-03     2.85183026E-04     2.39784552E-03
    -9.18143574E-04     6.03455568E-06     6.55483220E-04    -1.10928588E-04
     3.90017210E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.556145E+00 ->   1.554568E+00
           Unreweighted mean energy (a.u.)  :  -1.138386E+02 ->  -1.138375E+02


 Writing parameters to correlation.out.10.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m10s]

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 5
 Function evaluations : 16
 Variance reduced to  : 0.15545675E+01

 Writing parameters to correlation.out.10.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 11
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m9s remaining]
  DTVMC #1:   1.4513E-01 (optimized)
  DTVMC #2:   1.1828E-01 (optimized)
 Done. [total CPU time: 5m8s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.5325
 Acceptance ratio #2 <level 1>        (%)  =  51.2817
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9101
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.6219
 Diffusion constant #1           (Bohr^2)  = 1.1096E-02
 Diffusion constant #2           (Bohr^2)  = 9.2639E-03
 Correlation time                 (steps)  = 4.5800E+00 +- 5.7972E-01
 Efficiency                  (au^-2 s^-1)  = 1.3014E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.780313365527
  Standard error                        +/-           0.017044511962

  Kinetic energy KEI (used in Total) (au) =         113.599422100662
  Standard error                        +/-           1.106960358803

  Kinetic energy TI                  (au) =         113.152801972897
  Standard error                        +/-           0.616669194892

  Kinetic energy FISQ                (au) =         112.706181845132
  Standard error                        +/-           0.471803369514

  Potential energy                   (au) =        -269.271321948029
  Standard error                        +/-           1.108673284417

  e-e interaction                    (au) =          78.838428509788
  Standard error                        +/-           0.095866706599

  e-n interaction                    (au) =        -348.109750457817
  Standard error                        +/-           1.142653667219

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.400308529848
  Standard error                        +/-           0.057897539392

  Maximum distance from origin       (au) =           7.629847411047

  Particles affected per move       (%) :  99.9969


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.2670
 Acceptance ratio #2 <level 1>        (%)  =  51.6237
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.6446
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9101
 Diffusion constant #1           (Bohr^2)  = 1.1373E-02
 Diffusion constant #2           (Bohr^2)  = 9.0593E-03
 Correlation time                 (steps)  = 2.8916E+00 +- 2.6272E-01
 Efficiency                  (au^-2 s^-1)  = 2.7733E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.838612889823
  Standard error                        +/-           0.016615301705

  Kinetic energy KEI (used in Total) (au) =         110.720837911483
  Standard error                        +/-           0.866410384731

  Kinetic energy TI                  (au) =         111.954458192607
  Standard error                        +/-           0.538217429031

  Kinetic energy FISQ                (au) =         113.188078473732
  Standard error                        +/-           0.613843990111

  Potential energy                   (au) =        -266.451037283146
  Standard error                        +/-           0.868168599503

  e-e interaction                    (au) =          78.585520995795
  Standard error                        +/-           0.110961057224

  e-n interaction                    (au) =        -345.036558278941
  Standard error                        +/-           0.919262364697

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.248999038742
  Standard error                        +/-           0.067067926395

  Maximum distance from origin       (au) =           7.913507908687

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.7812
 Acceptance ratio #2 <level 1>        (%)  =  51.6012
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0829
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8615
 Diffusion constant #1           (Bohr^2)  = 1.1275E-02
 Diffusion constant #2           (Bohr^2)  = 9.2878E-03
 Correlation time                 (steps)  = 3.9955E+00 +- 4.6428E-01
 Efficiency                  (au^-2 s^-1)  = 1.9463E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.858136733556
  Standard error                        +/-           0.016406897542

  Kinetic energy KEI (used in Total) (au) =         108.220856902685
  Standard error                        +/-           0.815958858166

  Kinetic energy TI                  (au) =         110.337799374504
  Standard error                        +/-           0.467862025699

  Kinetic energy FISQ                (au) =         112.454741846323
  Standard error                        +/-           0.464338331475

  Potential energy                   (au) =        -263.970580118082
  Standard error                        +/-           0.817141053574

  e-e interaction                    (au) =          78.524863649217
  Standard error                        +/-           0.117891367273

  e-n interaction                    (au) =        -342.495443767299
  Standard error                        +/-           0.825409495567

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.288005814137
  Standard error                        +/-           0.061838336498

  Maximum distance from origin       (au) =           7.867982351299

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.5994
 Acceptance ratio #2 <level 1>        (%)  =  51.9481
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9870
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2484
 Diffusion constant #1           (Bohr^2)  = 1.0990E-02
 Diffusion constant #2           (Bohr^2)  = 9.1205E-03
 Correlation time                 (steps)  = 3.4018E+00 +- 3.2946E-01
 Efficiency                  (au^-2 s^-1)  = 2.0739E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.799899275035
  Standard error                        +/-           0.015258366275

  Kinetic energy KEI (used in Total) (au) =         106.726449990355
  Standard error                        +/-           1.023270257491

  Kinetic energy TI                  (au) =         109.774561658099
  Standard error                        +/-           0.559657620385

  Kinetic energy FISQ                (au) =         112.822673325842
  Standard error                        +/-           0.417708501552

  Potential energy                   (au) =        -262.417935747230
  Standard error                        +/-           1.023487507805

  e-e interaction                    (au) =          78.089924408616
  Standard error                        +/-           0.096897985215

  e-n interaction                    (au) =        -340.507860155846
  Standard error                        +/-           1.050702605676

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.183060689407
  Standard error                        +/-           0.039429978094

  Maximum distance from origin       (au) =           7.349085168357

  Particles affected per move       (%) :  99.9995


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.8321
 Acceptance ratio #2 <level 1>        (%)  =  51.2929
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2236
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.6119
 Diffusion constant #1           (Bohr^2)  = 1.1094E-02
 Diffusion constant #2           (Bohr^2)  = 9.2116E-03
 Correlation time                 (steps)  = 3.5481E+00 +- 3.9017E-01
 Efficiency                  (au^-2 s^-1)  = 1.9739E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.785179852041
  Standard error                        +/-           0.015522313113

  Kinetic energy KEI (used in Total) (au) =         126.467984969023
  Standard error                        +/-           1.356674734035

  Kinetic energy TI                  (au) =         120.700792749207
  Standard error                        +/-           0.882562601570

  Kinetic energy FISQ                (au) =         114.933600529392
  Standard error                        +/-           1.232493251224

  Potential energy                   (au) =        -282.144751302904
  Standard error                        +/-           1.359372135040

  e-e interaction                    (au) =          78.516677573452
  Standard error                        +/-           0.094767429338

  e-n interaction                    (au) =        -360.661428876356
  Standard error                        +/-           1.382191967128

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.430152642604
  Standard error                        +/-           0.094611268453

  Maximum distance from origin       (au) =           8.660783615249

  Particles affected per move       (%) :  99.9961


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.4796
 Acceptance ratio #2 <level 1>        (%)  =  51.5163
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9071
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7766
 Diffusion constant #1           (Bohr^2)  = 1.1217E-02
 Diffusion constant #2           (Bohr^2)  = 8.8059E-03
 Correlation time                 (steps)  = 3.8785E+00 +- 4.5606E-01
 Efficiency                  (au^-2 s^-1)  = 1.2016E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.894346573931
  Standard error                        +/-           0.018333628922

  Kinetic energy KEI (used in Total) (au) =         124.446478516976
  Standard error                        +/-           1.907747728428

  Kinetic energy TI                  (au) =         118.445134971153
  Standard error                        +/-           0.964004314333

  Kinetic energy FISQ                (au) =         112.443791425330
  Standard error                        +/-           0.420543541999

  Potential energy                   (au) =        -280.232411572747
  Standard error                        +/-           1.909294570532

  e-e interaction                    (au) =          78.212684558437
  Standard error                        +/-           0.104418349459

  e-n interaction                    (au) =        -358.445096131184
  Standard error                        +/-           1.936477187302

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.790921588070
  Standard error                        +/-           0.133446444771

  Maximum distance from origin       (au) =           7.206014508021

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.5425
 Acceptance ratio #2 <level 1>        (%)  =  51.5999
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8852
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9076
 Diffusion constant #1           (Bohr^2)  = 1.0918E-02
 Diffusion constant #2           (Bohr^2)  = 9.5634E-03
 Correlation time                 (steps)  = 4.5418E+00 +- 7.3441E-01
 Efficiency                  (au^-2 s^-1)  = 3.6103E+01
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.882269366614
  Standard error                        +/-           0.038251608122

  Kinetic energy KEI (used in Total) (au) =         154.390333104019
  Standard error                        +/-           2.881935774432

  Kinetic energy TI                  (au) =         133.720797868093
  Standard error                        +/-           1.619973941816

  Kinetic energy FISQ                (au) =         113.051262632167
  Standard error                        +/-           1.220550097192

  Potential energy                   (au) =        -310.164188952474
  Standard error                        +/-           2.881328142149

  e-e interaction                    (au) =          78.175604325900
  Standard error                        +/-           0.109626076884

  e-n interaction                    (au) =        -388.339793278373
  Standard error                        +/-           2.895165712824

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           6.108333070716
  Standard error                        +/-           0.686461001816

  Maximum distance from origin       (au) =           9.041985050262

  Particles affected per move       (%) :  99.9785


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.7861
 Acceptance ratio #2 <level 1>        (%)  =  51.7622
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2017
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1198
 Diffusion constant #1           (Bohr^2)  = 1.0720E-02
 Diffusion constant #2           (Bohr^2)  = 9.4196E-03
 Correlation time                 (steps)  = 5.2597E+00 +- 6.9719E-01
 Efficiency                  (au^-2 s^-1)  = 1.0879E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.789427284021
  Standard error                        +/-           0.015592511822

  Kinetic energy KEI (used in Total) (au) =         115.667771195522
  Standard error                        +/-           0.937156362164

  Kinetic energy TI                  (au) =         114.031324627418
  Standard error                        +/-           0.525405434522

  Kinetic energy FISQ                (au) =         112.394878059313
  Standard error                        +/-           0.412801127993

  Potential energy                   (au) =        -271.348784961384
  Standard error                        +/-           0.937056595973

  e-e interaction                    (au) =          77.668268747112
  Standard error                        +/-           0.106192215740

  e-n interaction                    (au) =        -349.017053708496
  Standard error                        +/-           0.948045274982

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.458721732490
  Standard error                        +/-           0.083645855815

  Maximum distance from origin       (au) =           7.726623944258

  Particles affected per move       (%) :  99.9867


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.5635
 Acceptance ratio #2 <level 1>        (%)  =  51.6960
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9111
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9651
 Diffusion constant #1           (Bohr^2)  = 1.0804E-02
 Diffusion constant #2           (Bohr^2)  = 8.9858E-03
 Correlation time                 (steps)  = 4.1108E+00 +- 6.3358E-01
 Efficiency                  (au^-2 s^-1)  = 1.4956E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.845578507532
  Standard error                        +/-           0.018305870951

  Kinetic energy KEI (used in Total) (au) =         103.676528359849
  Standard error                        +/-           0.869613783362

  Kinetic energy TI                  (au) =         108.127282421191
  Standard error                        +/-           0.525830013512

  Kinetic energy FISQ                (au) =         112.578036482533
  Standard error                        +/-           0.648693788712

  Potential energy                   (au) =        -259.413693349222
  Standard error                        +/-           0.868601823946

  e-e interaction                    (au) =          78.381920509154
  Standard error                        +/-           0.102154087250

  e-n interaction                    (au) =        -337.795613858376
  Standard error                        +/-           0.872390774653

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.629149557083
  Standard error                        +/-           0.268403574103

  Maximum distance from origin       (au) =           8.453701238493

  Particles affected per move       (%) :  99.9968


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.4507
 Acceptance ratio #2 <level 1>        (%)  =  51.8371
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8343
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1398
 Diffusion constant #1           (Bohr^2)  = 1.1377E-02
 Diffusion constant #2           (Bohr^2)  = 9.1471E-03
 Correlation time                 (steps)  = 4.1919E+00 +- 5.0765E-01
 Efficiency                  (au^-2 s^-1)  = 1.3475E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.833958490489
  Standard error                        +/-           0.016673138492

  Kinetic energy KEI (used in Total) (au) =         102.930391351958
  Standard error                        +/-           0.782876638868

  Kinetic energy TI                  (au) =         107.766659529321
  Standard error                        +/-           0.452396173999

  Kinetic energy FISQ                (au) =         112.602927706683
  Standard error                        +/-           0.463835447003

  Potential energy                   (au) =        -258.655936324288
  Standard error                        +/-           0.782443095229

  e-e interaction                    (au) =          78.107239853595
  Standard error                        +/-           0.122767463302

  e-n interaction                    (au) =        -336.763176177883
  Standard error                        +/-           0.800128388368

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.477619591786
  Standard error                        +/-           0.109567188351

  Maximum distance from origin       (au) =           7.547453527933

  Particles affected per move       (%) :  99.9854


 Time taken in block    : : :        6.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.830772233857 +/- 0.006298689570      No correction
 -113.830772233857 +/- 0.012660174607      Correlation time method
 -113.830772233857 +/- 0.015068511218      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.830772233857 +/-       0.015068511218
    stderr:      0.015068511218 +/-       0.001539427568
    errfac:      2.382045997847 +/-       0.243354318462
    N_corr:      5.674143135859 +/-       1.159362360704
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   6.325869E-03   7.996546E-05
            2   7.807229E-03   1.395930E-04
            4   9.601670E-03   2.428663E-04
            8   1.148527E-02   4.111068E-04
           16   1.202024E-02   6.092546E-04
           32   1.436744E-02   1.032520E-03
           64   1.506851E-02   1.539428E-03  *** BEST ***
          128   1.278731E-02   1.867084E-03
          256   1.295819E-02   2.734677E-03
          512   1.551350E-02   4.851152E-03
         1024   4.637643E-03   2.286668E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.901527225488 +- 0.470829326303

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 11
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  1.08760526E+00    -7.17127621E-03     2.80678284E-01    -1.06804516E+00
     1.88041864E+00    -1.11310920E+00    -1.29908364E+00     2.27446515E+00
    -9.37334490E-01     1.90401508E+00     2.63226528E-03    -1.95794764E-02
     5.83601736E-02    -9.65002179E-02     1.05939055E-01    -8.36245073E-02
     4.59845885E-02    -1.54720819E-02     2.35678403E-03 Bm  2.05477591E+00
    -8.86369661E-02     2.03901043E-02    -1.80772963E-01     2.33859374E-01
    -7.17723493E-02    -8.30667264E-02    -9.09690090E-02     1.45142544E-01
    -3.79341400E-02    -2.46067416E-03 BP  6.27759926E+00     6.74925748E-05
    -2.57936134E-05    -8.75570935E-05     3.27852748E-05     1.83785498E-06
    -4.68988777E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72487143E+00     5.11747511E-03     7.07295505E-03    -1.72762593E-02
     1.83887825E-02    -1.12370846E-02     4.06427725E-03    -8.01610287E-04
     6.59145036E-05     8.69050260E-03     4.78604832E-03    -1.12093040E-02
     1.37293541E-02    -1.01537410E-02     4.42343914E-03    -1.01822021E-03
     9.54804714E-05 JX  3.47527179E+00    -2.24844652E-02     2.65614521E-03
     2.10590547E-02    -2.50363270E-02     1.13136024E-02    -1.77487407E-03
 Jf  3.15939830E+00    -7.22909999E-05    -3.01466762E-04     1.70733501E-04
    -4.68542483E-04    -2.16677749E-04     1.38981104E-04     5.40185953E-04
     6.14844775E-04     4.93173228E-05    -2.71011742E-04     5.99823413E-04
    -1.12161710E-03    -4.41678320E-05     7.05682703E-05    -9.59816927E-04
     3.50246445E-04    -1.67859636E-04    -1.23395215E-04     2.26980350E-04
    -2.68908302E-04     3.95865290E-04    -1.34622221E-04     1.59692380E-05
     3.39883729E-04    -1.23042462E-04     5.48479844E-05    -2.33344030E-05
    -2.44525510E-03     2.21209081E-03     2.25105235E-03    -1.72381066E-03
     5.32987524E-04     2.85409163E-03     2.89846953E-03    -5.77175904E-04
    -5.87476743E-05     1.28420322E-03    -1.45149200E-03    -5.06757629E-04
     8.16817120E-04    -1.26855730E-03     2.30502036E-04    -1.34125939E-04
     8.71061506E-04    -1.13412644E-03     2.85183026E-04     2.39784552E-03
    -9.18143574E-04     6.03455568E-06     6.55483220E-04    -1.10928588E-04
     3.90017210E-05

    Unreweighted variance of energy (a.u.)  :   1.971398E+00
           Unreweighted mean energy (a.u.)  :  -1.138478E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  1.09357585E+00    -3.55276079E-03     2.37948167E-01    -1.07820525E+00
     1.94080880E+00    -9.80019969E-01    -1.34984354E+00     1.92303522E+00
    -6.84371154E-01     1.85561050E+00     9.11261429E-04    -1.04081756E-02
     4.44236182E-02    -9.61021287E-02     1.21406399E-01    -9.76511702E-02
     5.22596207E-02    -1.76413820E-02     2.81007381E-03 Bm  2.03389233E+00
    -1.35024961E-02    -3.35827371E-01     5.98044121E-01    -3.41398765E-01
     6.54544256E-02    -3.30459644E-02    -2.32331182E-01     3.42417256E-01
    -1.37154960E-01     1.34873950E-02 BP  6.04027476E+00     6.82712784E-05
    -2.63533528E-05    -1.03439101E-04     4.00668756E-05     3.81240964E-06
    -1.47662986E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.80242308E+00     4.83973511E-03     4.18694079E-03    -1.13556179E-02
     1.27502890E-02    -8.14365385E-03     3.06749448E-03    -6.27221717E-04
     5.41247316E-05     8.38479492E-03     3.93977600E-03    -1.16036688E-02
     1.59740035E-02    -1.16061468E-02     4.63075195E-03    -9.53892633E-04
     8.01656201E-05 JX  3.45997919E+00    -2.56785356E-02     1.39387030E-03
     2.22291127E-02    -3.14467577E-02     1.62187262E-02    -2.72017508E-03
 Jf  3.18593011E+00    -1.05975490E-04    -2.35157501E-04    -1.24207507E-04
    -5.93758311E-04     2.55365085E-04    -1.34427986E-04     1.06288706E-03
     3.41388952E-04     1.64359120E-04    -5.19302410E-04     5.52862368E-04
    -1.28015760E-03     6.74792037E-04    -4.39438176E-05    -1.17573996E-03
     2.53481845E-04    -6.26121684E-05    -1.22329050E-04     4.08118000E-04
    -3.20888063E-04     1.22596842E-04    -2.27022765E-04     4.66452217E-05
     4.83652778E-04    -1.34107074E-04     4.06502488E-05    -3.63401302E-05
    -2.51105019E-03     2.15570116E-03     2.87447402E-03    -2.02114169E-03
     7.60412568E-04     2.87612310E-03     2.55058650E-03    -6.22833336E-04
    -9.04748313E-05     1.29773454E-03    -1.24353659E-03    -6.22325913E-04
     7.40405258E-04    -9.03107066E-04     2.46282074E-04    -1.81074404E-04
     9.71084918E-04    -1.19941869E-03     2.86408508E-04     2.39103730E-03
    -8.62855262E-04     9.30849430E-06     4.93718497E-04    -8.16107469E-05
     3.65276988E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.971398E+00 ->   1.556398E+00
           Unreweighted mean energy (a.u.)  :  -1.138478E+02 ->  -1.138755E+02


 Writing parameters to correlation.out.11.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 3
 NL2SOL iteration     : 2

 Current parameters:
 Be  1.12086387E+00    -3.70200520E-03     2.41076954E-01    -1.04010679E+00
     1.76285657E+00    -8.16343327E-01    -1.13199338E+00     1.48929226E+00
    -4.94603138E-01     1.84015222E+00     5.99933827E-04    -7.32178100E-03
     3.46682014E-02    -8.58241444E-02     1.23644429E-01    -1.07385819E-01
     5.55142526E-02    -1.58177636E-02     1.92865316E-03 Bm  2.04455540E+00
    -4.93247486E-03    -3.55236918E-01     5.95335452E-01    -3.19322747E-01
     5.59065681E-02    -3.16094623E-02    -2.21462006E-01     3.04156995E-01
    -1.00163288E-01     2.22718086E-03 BP  5.69014137E+00     6.83543127E-05
    -2.61600479E-05    -1.27027173E-04     4.90381277E-05     1.27840321E-05
    -5.10525623E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.77491907E+00     4.99891712E-03     3.39730353E-03    -7.84685609E-03
     6.72842669E-03    -3.00494587E-03     7.28106213E-04    -8.33884420E-05
     3.11652188E-06     8.59538560E-03     4.07288961E-03    -1.20664958E-02
     1.68661607E-02    -1.25660809E-02     5.16874625E-03    -1.10078094E-03
     9.56288465E-05 JX  3.44043026E+00    -2.64140718E-02     8.14655791E-04
     2.29753459E-02    -3.23936725E-02     1.68644998E-02    -2.85934238E-03
 Jf  3.14755042E+00    -1.15204442E-04    -2.58899041E-04    -4.35953531E-05
    -6.39623744E-04     2.01798643E-04    -1.09668205E-04     1.13145641E-03
     6.05767865E-04     1.88621254E-04    -5.32181773E-04     5.16467098E-04
    -1.49975316E-03     9.40796318E-04    -4.36495077E-05    -1.63539536E-03
     3.58587278E-04    -9.97170953E-05    -1.73860034E-04     4.94790389E-04
    -3.49006489E-04     6.37382324E-05    -2.59504767E-04     5.15916958E-05
     5.96519026E-04    -1.68059332E-04     5.34087110E-05    -4.05955929E-05
    -2.69124408E-03     2.24591316E-03     3.11684998E-03    -2.11235700E-03
     7.72963601E-04     3.10084239E-03     2.52972929E-03    -6.63938485E-04
    -1.10491161E-04     1.39979908E-03    -1.32150816E-03    -7.36858150E-04
     7.56283273E-04    -7.79026922E-04     2.32438089E-04    -1.76034679E-04
     1.03615668E-03    -1.26892312E-03     2.96210123E-04     2.52921039E-03
    -8.85404160E-04     9.60597642E-06     4.75688432E-04    -7.80449397E-05
     3.54698426E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.556398E+00 ->   1.551008E+00
           Unreweighted mean energy (a.u.)  :  -1.138755E+02 ->  -1.138143E+02


 Writing parameters to correlation.out.11.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 3

 Current parameters:
 Be  1.12934315E+00    -3.68693596E-03     2.38637245E-01    -1.02164804E+00
     1.71340426E+00    -7.83078232E-01    -1.07542656E+00     1.39492038E+00
    -4.56688734E-01     1.93998952E+00     4.60254363E-04    -5.74949042E-03
     2.78035402E-02    -6.96134000E-02     9.96244654E-02    -8.37598423E-02
     4.05278926E-02    -1.03608509E-02     1.07774010E-03 Bm  2.00018640E+00
    -4.18938091E-03    -3.56547706E-01     5.76679517E-01    -2.94343934E-01
     4.76131761E-02    -2.46123769E-02    -2.57391550E-01     3.68978495E-01
    -1.48609756E-01     1.61819502E-02 BP  5.57751830E+00     6.38928998E-05
    -2.46609608E-05    -1.35641806E-04     5.24695306E-05     1.75967997E-05
    -6.81707587E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.77007852E+00     5.00855249E-03     3.08627160E-03    -6.55334152E-03
     4.53618462E-03    -1.12856699E-03    -1.26543502E-04     1.14022673E-04
    -1.50363240E-05     8.59567898E-03     4.12828433E-03    -1.22297837E-02
     1.71397997E-02    -1.28020919E-02     5.28213479E-03    -1.12949427E-03
     9.86107046E-05 JX  3.44033735E+00    -2.63986662E-02     1.03061958E-03
     2.27279786E-02    -3.22214814E-02     1.67449225E-02    -2.83499670E-03
 Jf  3.13798834E+00    -1.18847863E-04    -2.52114683E-04    -2.72280855E-05
    -7.51625589E-04     2.37368371E-04    -1.33588093E-04     1.17080591E-03
     7.36762200E-04     2.02401721E-04    -5.53677323E-04     5.27801316E-04
    -1.60190467E-03     1.07798107E-03    -4.10329144E-05    -1.88200508E-03
     4.00503662E-04    -1.07302373E-04    -1.92254392E-04     5.32795144E-04
    -3.70161847E-04     4.81333952E-05    -2.89135693E-04     5.63130813E-05
     6.75746362E-04    -1.87601444E-04     5.84210694E-05    -4.43387525E-05
    -2.77045238E-03     2.31640113E-03     3.25030438E-03    -2.20669745E-03
     8.14815782E-04     3.19132250E-03     2.60403754E-03    -6.75897102E-04
    -1.08849348E-04     1.43034279E-03    -1.37989048E-03    -7.40960490E-04
     7.77040132E-04    -8.09096479E-04     2.45666563E-04    -1.86763583E-04
     1.05595440E-03    -1.29503874E-03     3.03027949E-04     2.59507075E-03
    -9.13103270E-04     1.02337182E-05     4.91563830E-04    -8.15051990E-05
     3.75176685E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.551008E+00 ->   1.377833E+00
           Unreweighted mean energy (a.u.)  :  -1.138143E+02 ->  -1.138481E+02


 Writing parameters to correlation.out.11.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 4

 Current parameters:
 Be  1.13831310E+00    -3.67131681E-03     2.34191477E-01    -9.94717087E-01
     1.65811998E+00    -7.64105524E-01    -1.00062831E+00     1.30072733E+00
    -4.23533008E-01     2.11520415E+00     3.62176804E-04    -4.31388286E-03
     2.03587036E-02    -4.99729017E-02     6.94256953E-02    -5.53916814E-02
     2.44020308E-02    -5.24072735E-03     3.78549714E-04 Bm  2.05835800E+00
    -1.33831207E-02    -3.13077632E-01     5.08491505E-01    -2.48139720E-01
     3.58272125E-02    -3.50433550E-02    -2.08058333E-01     2.81948444E-01
    -8.15321510E-02    -2.71694158E-03 BP  5.28101720E+00     6.91705325E-05
    -2.66201739E-05    -1.67194086E-04     6.47230299E-05     2.60890536E-05
    -1.01805789E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.77474200E+00     4.99057572E-03     2.74227463E-03    -5.16121656E-03
     2.27368644E-03     7.45753656E-04    -9.59143218E-04     3.02490678E-04
    -3.20990116E-05     8.56839254E-03     4.14144189E-03    -1.22854907E-02
     1.72329660E-02    -1.28776702E-02     5.31120054E-03    -1.13432654E-03
     9.88452221E-05 JX  3.44292818E+00    -2.64000168E-02     1.22216087E-03
     2.23386121E-02    -3.18024896E-02     1.65357015E-02    -2.80008175E-03
 Jf  3.13868765E+00    -1.20044707E-04    -2.48845154E-04    -1.39271587E-06
    -8.14967262E-04     2.50446547E-04    -1.41924794E-04     1.18100832E-03
     8.50775122E-04     2.07917894E-04    -5.53298628E-04     5.10257815E-04
    -1.64499580E-03     1.18981321E-03    -3.97113612E-05    -2.07168227E-03
     4.33259175E-04    -1.14844378E-04    -2.01376705E-04     5.49068712E-04
    -3.72231650E-04     1.72366772E-05    -2.99878981E-04     5.76151959E-05
     7.18034243E-04    -1.97890628E-04     6.12216878E-05    -4.39084764E-05
    -2.76972805E-03     2.32406560E-03     3.24569448E-03    -2.21310379E-03
     8.18845748E-04     3.19456305E-03     2.63081236E-03    -6.73243086E-04
    -1.10148280E-04     1.43005366E-03    -1.39876062E-03    -7.07416149E-04
     7.73267695E-04    -8.70996186E-04     2.62687060E-04    -1.92973241E-04
     1.05120522E-03    -1.28720706E-03     2.99660385E-04     2.58605904E-03
    -9.15648849E-04     1.13609046E-05     5.05465392E-04    -8.65328738E-05
     3.94690843E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.377833E+00 ->   1.375379E+00
           Unreweighted mean energy (a.u.)  :  -1.138481E+02 ->  -1.138402E+02


 Writing parameters to correlation.out.11.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m9s]

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 4
 Function evaluations : 10
 Variance reduced to  : 0.13753793E+01

 Writing parameters to correlation.out.11.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 12
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m9s remaining]
  DTVMC #1:   1.4349E-01 (optimized)
  DTVMC #2:   1.1753E-01 (optimized)
 Done. [total CPU time: 5m7s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.6863
 Acceptance ratio #2 <level 1>        (%)  =  51.7010
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9641
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0337
 Diffusion constant #1           (Bohr^2)  = 1.0969E-02
 Diffusion constant #2           (Bohr^2)  = 8.9009E-03
 Correlation time                 (steps)  = 3.4846E+00 +- 3.8960E-01
 Efficiency                  (au^-2 s^-1)  = 1.4853E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.821549106999
  Standard error                        +/-           0.020285361109

  Kinetic energy KEI (used in Total) (au) =         113.052589814890
  Standard error                        +/-           1.070174752217

  Kinetic energy TI                  (au) =         113.347605601226
  Standard error                        +/-           0.602954684661

  Kinetic energy FISQ                (au) =         113.642621387561
  Standard error                        +/-           0.585374037561

  Potential energy                   (au) =        -268.765725403730
  Standard error                        +/-           1.071587800582

  e-e interaction                    (au) =          77.708039946681
  Standard error                        +/-           0.102210166675

  e-n interaction                    (au) =        -346.473765350411
  Standard error                        +/-           1.084729368683

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.935251840826
  Standard error                        +/-           0.404422304123

  Maximum distance from origin       (au) =           7.655139203462

  Particles affected per move       (%) :  99.8941


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  52.0517
 Acceptance ratio #2 <level 1>        (%)  =  51.8445
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3295
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1111
 Diffusion constant #1           (Bohr^2)  = 1.0725E-02
 Diffusion constant #2           (Bohr^2)  = 9.4328E-03
 Correlation time                 (steps)  = 3.5462E+00 +- 3.9595E-01
 Efficiency                  (au^-2 s^-1)  = 1.9875E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.798278745426
  Standard error                        +/-           0.015531658481

  Kinetic energy KEI (used in Total) (au) =         102.266110403192
  Standard error                        +/-           0.802770872829

  Kinetic energy TI                  (au) =         107.922349416901
  Standard error                        +/-           0.521784084848

  Kinetic energy FISQ                (au) =         113.578588430609
  Standard error                        +/-           0.663292559030

  Potential energy                   (au) =        -257.955975630458
  Standard error                        +/-           0.801062050718

  e-e interaction                    (au) =          78.215073955326
  Standard error                        +/-           0.095771503142

  e-n interaction                    (au) =        -336.171049585784
  Standard error                        +/-           0.833362408101

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.184236964932
  Standard error                        +/-           0.046901871096

  Maximum distance from origin       (au) =           7.469067607009

  Particles affected per move       (%) :  99.9615


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.8700
 Acceptance ratio #2 <level 1>        (%)  =  51.3790
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1208
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.6830
 Diffusion constant #1           (Bohr^2)  = 1.1002E-02
 Diffusion constant #2           (Bohr^2)  = 9.1640E-03
 Correlation time                 (steps)  = 3.7825E+00 +- 4.9178E-01
 Efficiency                  (au^-2 s^-1)  = 1.4878E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.809058266121
  Standard error                        +/-           0.018635325798

  Kinetic energy KEI (used in Total) (au) =         116.071889080143
  Standard error                        +/-           0.982370544331

  Kinetic energy TI                  (au) =         114.318765295812
  Standard error                        +/-           0.529013561426

  Kinetic energy FISQ                (au) =         112.565641511482
  Standard error                        +/-           0.448203103855

  Potential energy                   (au) =        -271.772533828105
  Standard error                        +/-           0.985042421446

  e-e interaction                    (au) =          78.557784436091
  Standard error                        +/-           0.107887175692

  e-n interaction                    (au) =        -350.330318264195
  Standard error                        +/-           1.030886877883

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.779824806904
  Standard error                        +/-           0.288132468829

  Maximum distance from origin       (au) =           8.346721836089

  Particles affected per move       (%) :  99.9015


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.7951
 Acceptance ratio #2 <level 1>        (%)  =  51.5999
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1508
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8527
 Diffusion constant #1           (Bohr^2)  = 1.1248E-02
 Diffusion constant #2           (Bohr^2)  = 8.9661E-03
 Correlation time                 (steps)  = 4.0240E+00 +- 4.4792E-01
 Efficiency                  (au^-2 s^-1)  = 5.1208E+01
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.823700390813
  Standard error                        +/-           0.031298763644

  Kinetic energy KEI (used in Total) (au) =         120.024893813820
  Standard error                        +/-           1.452853268973

  Kinetic energy TI                  (au) =         117.439401519938
  Standard error                        +/-           0.925121166079

  Kinetic energy FISQ                (au) =         114.853909226056
  Standard error                        +/-           1.188486478467

  Potential energy                   (au) =        -275.740180686473
  Standard error                        +/-           1.452654609466

  e-e interaction                    (au) =          77.913418911138
  Standard error                        +/-           0.100161610075

  e-n interaction                    (au) =        -353.653599597612
  Standard error                        +/-           1.475323877245

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           4.860678465985
  Standard error                        +/-           3.652531566367

  Maximum distance from origin       (au) =           7.545199564262

  Particles affected per move       (%) :  99.8845


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.4926
 Acceptance ratio #2 <level 1>        (%)  =  51.8133
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7993
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0462
 Diffusion constant #1           (Bohr^2)  = 1.0735E-02
 Diffusion constant #2           (Bohr^2)  = 9.2410E-03
 Correlation time                 (steps)  = 4.1580E+00 +- 5.4222E-01
 Efficiency                  (au^-2 s^-1)  = 1.4732E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.813596861557
  Standard error                        +/-           0.016809422065

  Kinetic energy KEI (used in Total) (au) =         113.862308453466
  Standard error                        +/-           1.234378168769

  Kinetic energy TI                  (au) =         113.477765854181
  Standard error                        +/-           0.657484978398

  Kinetic energy FISQ                (au) =         113.093223254897
  Standard error                        +/-           0.478316514200

  Potential energy                   (au) =        -269.567491796863
  Standard error                        +/-           1.234463013086

  e-e interaction                    (au) =          77.547312419311
  Standard error                        +/-           0.099034878798

  e-n interaction                    (au) =        -347.114804216175
  Standard error                        +/-           1.245127468660

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.362565720479
  Standard error                        +/-           0.073474793230

  Maximum distance from origin       (au) =           8.309733340256

  Particles affected per move       (%) :  99.8841


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.7262
 Acceptance ratio #2 <level 1>        (%)  =  51.5263
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0459
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8527
 Diffusion constant #1           (Bohr^2)  = 1.1030E-02
 Diffusion constant #2           (Bohr^2)  = 9.0899E-03
 Correlation time                 (steps)  = 3.8334E+00 +- 4.2523E-01
 Efficiency                  (au^-2 s^-1)  = 1.9773E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.799468445009
  Standard error                        +/-           0.015095455974

  Kinetic energy KEI (used in Total) (au) =         117.720718490345
  Standard error                        +/-           1.367292837727

  Kinetic energy TI                  (au) =         115.461558605596
  Standard error                        +/-           0.851495584790

  Kinetic energy FISQ                (au) =         113.202398720848
  Standard error                        +/-           0.831644732973

  Potential energy                   (au) =        -273.411773417195
  Standard error                        +/-           1.366522616872

  e-e interaction                    (au) =          78.426024660410
  Standard error                        +/-           0.092931701964

  e-n interaction                    (au) =        -351.837798077605
  Standard error                        +/-           1.373866209281

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.321424166502
  Standard error                        +/-           0.063059353040

  Maximum distance from origin       (au) =           7.123070482011

  Particles affected per move       (%) :  99.9228


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.8251
 Acceptance ratio #2 <level 1>        (%)  =  51.8396
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1108
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1061
 Diffusion constant #1           (Bohr^2)  = 1.0963E-02
 Diffusion constant #2           (Bohr^2)  = 9.1365E-03
 Correlation time                 (steps)  = 3.9877E+00 +- 5.2868E-01
 Efficiency                  (au^-2 s^-1)  = 1.6241E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.833607064768
  Standard error                        +/-           0.016257408884

  Kinetic energy KEI (used in Total) (au) =         108.399676430695
  Standard error                        +/-           0.895585894023

  Kinetic energy TI                  (au) =         110.890590396730
  Standard error                        +/-           0.561783368809

  Kinetic energy FISQ                (au) =         113.381504362766
  Standard error                        +/-           0.633131573669

  Potential energy                   (au) =        -264.124869977303
  Standard error                        +/-           0.897673498194

  e-e interaction                    (au) =          78.395437123893
  Standard error                        +/-           0.096812068848

  e-n interaction                    (au) =        -342.520307101197
  Standard error                        +/-           0.941618345984

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.288771508932
  Standard error                        +/-           0.053175521182

  Maximum distance from origin       (au) =           7.659304071864

  Particles affected per move       (%) :  99.9211


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  52.0108
 Acceptance ratio #2 <level 1>        (%)  =  51.5113
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3435
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7442
 Diffusion constant #1           (Bohr^2)  = 1.1108E-02
 Diffusion constant #2           (Bohr^2)  = 9.1485E-03
 Correlation time                 (steps)  = 4.3752E+00 +- 5.5933E-01
 Efficiency                  (au^-2 s^-1)  = 1.8434E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.831937462566
  Standard error                        +/-           0.016270546419

  Kinetic energy KEI (used in Total) (au) =         115.844315541848
  Standard error                        +/-           1.045770059491

  Kinetic energy TI                  (au) =         114.209649700694
  Standard error                        +/-           0.612776760110

  Kinetic energy FISQ                (au) =         112.574983859540
  Standard error                        +/-           0.562141395861

  Potential energy                   (au) =        -271.567839486255
  Standard error                        +/-           1.047675364526

  e-e interaction                    (au) =          78.487081003089
  Standard error                        +/-           0.104913144488

  e-n interaction                    (au) =        -350.054920489344
  Standard error                        +/-           1.093978301110

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.241853043005
  Standard error                        +/-           0.050701754411

  Maximum distance from origin       (au) =           7.469656198757

  Particles affected per move       (%) :  99.8935


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.7901
 Acceptance ratio #2 <level 1>        (%)  =  51.9057
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1378
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1785
 Diffusion constant #1           (Bohr^2)  = 1.0846E-02
 Diffusion constant #2           (Bohr^2)  = 9.1385E-03
 Correlation time                 (steps)  = 3.6024E+00 +- 3.8269E-01
 Efficiency                  (au^-2 s^-1)  = 1.9551E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.883929610106
  Standard error                        +/-           0.016720833349

  Kinetic energy KEI (used in Total) (au) =         118.530550497154
  Standard error                        +/-           0.989805987936

  Kinetic energy TI                  (au) =         115.846916580780
  Standard error                        +/-           0.565420631564

  Kinetic energy FISQ                (au) =         113.163282664407
  Standard error                        +/-           0.589625636177

  Potential energy                   (au) =        -274.306066589100
  Standard error                        +/-           0.990713442511

  e-e interaction                    (au) =          77.838483455942
  Standard error                        +/-           0.094959506030

  e-n interaction                    (au) =        -352.144550045042
  Standard error                        +/-           1.025474591266

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.422102249374
  Standard error                        +/-           0.099375257081

  Maximum distance from origin       (au) =           7.713174153032

  Particles affected per move       (%) :  99.8456


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.7851
 Acceptance ratio #2 <level 1>        (%)  =  51.6524
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0369
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9326
 Diffusion constant #1           (Bohr^2)  = 1.1428E-02
 Diffusion constant #2           (Bohr^2)  = 8.9502E-03
 Correlation time                 (steps)  = 3.8934E+00 +- 4.1782E-01
 Efficiency                  (au^-2 s^-1)  = 1.6143E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.829927979809
  Standard error                        +/-           0.016712326834

  Kinetic energy KEI (used in Total) (au) =         120.219552613942
  Standard error                        +/-           1.151033313281

  Kinetic energy TI                  (au) =         116.632485334837
  Standard error                        +/-           0.637935426670

  Kinetic energy FISQ                (au) =         113.045418055732
  Standard error                        +/-           0.461228395741

  Potential energy                   (au) =        -275.941067075591
  Standard error                        +/-           1.147918379695

  e-e interaction                    (au) =          78.005025415565
  Standard error                        +/-           0.098434363805

  e-n interaction                    (au) =        -353.946092491155
  Standard error                        +/-           1.193267198926

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.328004575694
  Standard error                        +/-           0.076861212486

  Maximum distance from origin       (au) =           8.141083729928

  Particles affected per move       (%) :  99.9090


 Time taken in block    : : :        6.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.824505393317 +/- 0.005981972292      No correction
 -113.824505393317 +/- 0.011766016541      Correlation time method
 -113.824505393317 +/- 0.009262044977      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.824505393317 +/-       0.009262044977
    stderr:      0.009262044977 +/-       0.000946228009
    errfac:      1.546927898222 +/-       0.158037075994
    N_corr:      2.392985922296 +/-       0.488943923616
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.987380E-03   7.568661E-05
            2   6.869154E-03   1.228202E-04
            4   7.841771E-03   1.983511E-04
            8   8.792059E-03   3.147054E-04
           16   9.215092E-03   4.670736E-04
           32   9.515331E-03   6.838222E-04
           64   9.262045E-03   9.462280E-04  *** BEST ***
          128   9.142120E-03   1.334847E-03
          256   6.870323E-03   1.449902E-03
          512   7.238662E-03   2.263568E-03
         1024   9.684136E-03   4.774926E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.772471334263 +- 0.351455563423

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 12
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  1.13831310E+00    -3.67131681E-03     2.34191477E-01    -9.94717087E-01
     1.65811998E+00    -7.64105524E-01    -1.00062831E+00     1.30072733E+00
    -4.23533008E-01     2.11520415E+00     3.62176804E-04    -4.31388286E-03
     2.03587036E-02    -4.99729017E-02     6.94256953E-02    -5.53916814E-02
     2.44020308E-02    -5.24072735E-03     3.78549714E-04 Bm  2.05835800E+00
    -1.33831207E-02    -3.13077632E-01     5.08491505E-01    -2.48139720E-01
     3.58272125E-02    -3.50433550E-02    -2.08058333E-01     2.81948444E-01
    -8.15321510E-02    -2.71694158E-03 BP  5.28101720E+00     6.91705325E-05
    -2.66201739E-05    -1.67194086E-04     6.47230299E-05     2.60890536E-05
    -1.01805789E-05 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.77474200E+00     4.99057572E-03     2.74227463E-03    -5.16121656E-03
     2.27368644E-03     7.45753656E-04    -9.59143218E-04     3.02490678E-04
    -3.20990116E-05     8.56839254E-03     4.14144189E-03    -1.22854907E-02
     1.72329660E-02    -1.28776702E-02     5.31120054E-03    -1.13432654E-03
     9.88452221E-05 JX  3.44292818E+00    -2.64000168E-02     1.22216087E-03
     2.23386121E-02    -3.18024896E-02     1.65357015E-02    -2.80008175E-03
 Jf  3.13868765E+00    -1.20044707E-04    -2.48845154E-04    -1.39271587E-06
    -8.14967262E-04     2.50446547E-04    -1.41924794E-04     1.18100832E-03
     8.50775122E-04     2.07917894E-04    -5.53298628E-04     5.10257815E-04
    -1.64499580E-03     1.18981321E-03    -3.97113612E-05    -2.07168227E-03
     4.33259175E-04    -1.14844378E-04    -2.01376705E-04     5.49068712E-04
    -3.72231650E-04     1.72366772E-05    -2.99878981E-04     5.76151959E-05
     7.18034243E-04    -1.97890628E-04     6.12216878E-05    -4.39084764E-05
    -2.76972805E-03     2.32406560E-03     3.24569448E-03    -2.21310379E-03
     8.18845748E-04     3.19456305E-03     2.63081236E-03    -6.73243086E-04
    -1.10148280E-04     1.43005366E-03    -1.39876062E-03    -7.07416149E-04
     7.73267695E-04    -8.70996186E-04     2.62687060E-04    -1.92973241E-04
     1.05120522E-03    -1.28720706E-03     2.99660385E-04     2.58605904E-03
    -9.15648849E-04     1.13609046E-05     5.05465392E-04    -8.65328738E-05
     3.94690843E-05

    Unreweighted variance of energy (a.u.)  :   3.370865E+00
           Unreweighted mean energy (a.u.)  :  -1.138516E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.84500753E-01     7.09381916E-03    -1.23166387E-01    -5.37384953E-01
     2.74891700E+00    -2.58465640E+00    -2.43764665E+00     4.87034033E+00
    -1.94355668E+00     1.64726867E+00     2.33095867E-03    -2.06372783E-02
     6.61236405E-02    -1.25567626E-01     1.77016852E-01    -1.81693321E-01
     1.15767042E-01    -3.85408317E-02     5.01123189E-03 Bm  2.18734144E+00
    -2.44780872E-01     2.86667954E-01    -2.10220457E-01     1.20293035E-01
    -3.23262240E-02    -2.36682679E-01    -4.02851804E-02     6.52617090E-01
    -6.13061596E-01     1.50819880E-01 BP  5.84991486E+00     5.50303671E-05
    -2.11012842E-05    -1.06810214E-04     4.10803110E-05     1.35600659E-05
    -5.20658777E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.74944588E+00     5.31966466E-03     4.75952706E-04    -5.50514066E-04
    -4.86101085E-04     7.04843357E-04    -2.55142604E-04     3.50837596E-05
    -5.18290465E-07     9.42495271E-03     3.17496094E-03    -1.11089709E-02
     1.57191881E-02    -1.22981726E-02     5.18898013E-03    -1.09498101E-03
     9.09495653E-05 JX  3.47083048E+00    -2.48162441E-02    -1.92393803E-03
     3.01261243E-02    -3.46905700E-02     1.67810317E-02    -2.78572396E-03
 Jf  3.12920512E+00    -3.90233369E-05     5.36735357E-04    -1.82101109E-04
    -2.52361695E-03     3.53655293E-04    -3.71816780E-05    -1.15714108E-03
     1.59565045E-03    -3.85318966E-05    -2.04738788E-04     1.28328481E-04
    -3.33287357E-04    -1.98777662E-04     3.00302619E-04    -2.11940251E-03
     4.94817115E-04    -2.04294183E-04    -1.32914330E-04     4.07032088E-04
    -3.54249338E-04    -1.11907375E-04     6.04534710E-06    -2.30390721E-05
     6.49895665E-04    -1.99479803E-04     7.89559711E-05     2.56703618E-05
    -2.77102119E-03     2.19816885E-03     3.37176000E-03    -2.17463112E-03
     8.25181104E-04     2.82928300E-03     2.29910650E-03    -7.40970654E-04
    -4.05966784E-05     1.28366257E-03    -1.23848947E-03    -1.00081780E-03
     8.01502259E-04    -6.94928755E-04     2.09159530E-04    -1.80391372E-04
     9.64205630E-04    -1.14949253E-03     2.71672057E-04     2.44076725E-03
    -8.85876540E-04     9.09784679E-06     6.45890351E-04    -1.29158142E-04
     5.64310031E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   3.370865E+00 ->   3.002408E+00
           Unreweighted mean energy (a.u.)  :  -1.138516E+02 ->  -1.138682E+02


 Writing parameters to correlation.out.12.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 3
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.69167751E-01     2.03654951E-02    -7.03042400E-01     9.46571717E-01
     2.23285434E+00    -4.37708537E+00    -2.08458327E+00     7.67084297E+00
    -3.76425090E+00     1.77954601E+00     2.81509685E-03    -1.94357687E-02
     4.98573185E-02    -8.45850435E-02     1.23241047E-01    -1.28007805E-01
     7.48255980E-02    -2.07215985E-02     1.92368553E-03 Bm  2.18931786E+00
    -2.97109441E-01     3.35248321E-01    -1.39260062E-01     2.39306329E-02
    -6.89389981E-04    -3.74917830E-01     4.39559804E-01    -2.59205532E-02
    -2.01146112E-01     7.39279160E-02 BP  7.07832376E+00     3.03943260E-05
    -1.17417198E-05    -4.73666403E-05     1.82434686E-05     3.33196184E-06
    -1.35941602E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.84686534E+00     4.95915599E-03    -3.81029445E-03     8.11517926E-03
    -6.77625798E-03     1.95109357E-03     3.26221058E-04    -2.62966874E-04
     3.56508476E-05     8.64942987E-03     2.80459267E-03    -1.02000596E-02
     1.47195444E-02    -1.16103172E-02     4.93456016E-03    -1.04918261E-03
     8.76936198E-05 JX  3.46159105E+00    -2.50517912E-02    -1.34113291E-03
     3.45153433E-02    -4.18524360E-02     2.02519734E-02    -3.33771445E-03
 Jf  3.13827121E+00    -3.32437378E-05     7.80997396E-04    -2.03169919E-04
    -2.95831997E-03     4.14716674E-04    -3.09963221E-05    -1.97871370E-03
     1.71280655E-03    -2.62293053E-04     2.79636849E-05    -2.47471231E-04
     6.22564702E-04    -8.24436991E-04     4.45899558E-04    -1.60064442E-03
     3.75770377E-04    -1.88771108E-04     7.72656017E-05     1.45933191E-04
    -1.83542222E-04    -1.89046099E-04     1.61777976E-04    -6.59967926E-05
     4.58862447E-04    -1.54205603E-04     7.11825608E-05     2.21410770E-05
    -2.69139038E-03     2.12361933E-03     3.21335167E-03    -2.10211462E-03
     8.12218246E-04     2.75840416E-03     2.18283686E-03    -7.29198671E-04
    -6.54321597E-05     1.32877620E-03    -1.20296834E-03    -1.05725648E-03
     7.95295483E-04    -5.57661564E-04     1.67494479E-04    -1.63798697E-04
     9.59477339E-04    -1.13572859E-03     2.44628334E-04     2.45466458E-03
    -8.97289269E-04     1.32853723E-05     6.55169765E-04    -1.27089946E-04
     5.33617675E-05

 Rejected step:
 Variance  :   3.002408E+00 ->   3.265049E+00
 Energy    :  -1.138682E+02 ->  -1.138734E+02

 Current parameters:
 Be  1.06770235E+00     1.85975234E-04    -2.67370785E-02    -4.58578255E-01
     1.91468415E+00    -1.75149597E+00    -1.46442152E+00     2.82108353E+00
    -9.90263448E-01     2.44420499E+00     5.06380678E-03    -6.77267315E-03
     2.65545657E-02    -4.10630095E-02     3.56377691E-02    -2.53247674E-02
     1.10026208E-02    -2.31610323E-03     2.44098468E-04 Bm  2.18934493E+00
     3.72594506E-01    -3.77093352E-01     3.53768486E-02     1.68731299E-01
    -5.68427258E-02     1.09626981E+00    -2.12539477E+00     1.16426759E+00
    -1.73967089E-01     5.49431313E-02 BP  8.94214879E+00     1.79363345E-05
    -4.56234821E-06    -1.62805382E-05     4.53002475E-06     2.00738818E-06
    -6.34374780E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  4.39593096E+00    -3.95126171E-03     5.33034141E-03     2.93600599E-03
    -1.77259593E-03    -5.97223885E-05    -3.40849140E-04     7.38420526E-05
     5.17931507E-06    -6.82159337E-03     1.75278756E-02    -1.00696107E-02
     1.66347056E-02    -1.22446315E-02     4.99740590E-03    -1.15032695E-03
     1.19848011E-04 JX  5.21217890E+00    -1.45245563E-03     4.67378863E-02
     2.10219286E-02    -3.60977806E-02     1.43462646E-02    -4.53106178E-03
 Jf  3.49595831E-02    -1.41547770E-03    -4.24930521E-04     2.38145701E-04
    -5.14108135E-03     5.56127856E-04     7.43110888E-05     9.46193388E-04
     3.07819152E-03    -1.80361069E-04    -1.38535090E-03     2.66019651E-04
     1.20335942E-04    -4.09468160E-04     3.87807378E-04    -1.94516061E-03
     5.17223132E-04    -1.23819520E-04     1.71938012E-04     7.96664174E-04
    -6.31691044E-04    -4.35383719E-04     4.37809653E-05     2.87561436E-05
     5.34504741E-04    -2.30173994E-04     9.43813774E-05    -5.76223525E-04
    -5.08668630E-03     2.68367140E-03     3.98226302E-04    -1.43739370E-03
     7.04773257E-04     5.72570203E-03     3.06392859E-03    -3.68712131E-03
    -9.58163238E-04     9.34523337E-04    -1.44744800E-03    -1.30108312E-03
     8.79323900E-04    -4.96632168E-04     1.97610801E-04    -1.67755661E-04
     2.86627259E-03    -9.93475488E-04     7.65193373E-05     1.81078579E-03
    -8.56822758E-04     5.83727988E-05     5.63323033E-04    -1.55043534E-04
     8.96620639E-05

 Rejected step:
 Variance  :   3.002408E+00 ->   5.073422E+05
 Energy    :  -1.138682E+02 ->  -6.278839E+03

 Current parameters:
 Be  9.48786652E-01     1.18804221E-02    -2.42891944E-01    -4.85592524E-01
     3.27544523E+00    -3.15253083E+00    -3.13166568E+00     6.28150287E+00
    -2.58409891E+00     1.78545992E+00     2.88445451E-03    -2.10097433E-02
     5.74902655E-02    -9.72074949E-02     1.27724462E-01    -1.22098607E-01
     7.12941881E-02    -2.18063495E-02     2.66011979E-03 Bm  2.19107916E+00
    -2.79100807E-01     3.44967709E-01    -2.11229062E-01     8.36560353E-02
    -1.50596417E-02    -2.84914106E-01     1.04732594E-01     4.76177348E-01
    -5.12124333E-01     1.39941290E-01 BP  5.89426926E+00     5.34340461E-05
    -2.06365434E-05    -1.03669741E-04     3.97560832E-05     1.29493849E-05
    -4.89541651E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.85295659E+00     4.74827940E-03    -1.49741809E-05     1.76329200E-04
    -7.42759872E-04     6.55334993E-04    -2.15308939E-04     3.48023438E-05
    -2.53426431E-06     8.61867324E-03     2.98392336E-03    -1.08075599E-02
     1.55711668E-02    -1.22507386E-02     5.19034263E-03    -1.09980019E-03
     9.14836808E-05 JX  3.48320484E+00    -2.43499047E-02    -1.16717623E-03
     3.04982708E-02    -3.57248547E-02     1.71028690E-02    -2.81440528E-03
 Jf  3.14242112E+00    -3.88950271E-05     5.48992704E-04    -1.92483404E-04
    -2.56560387E-03     3.33356098E-04    -8.72332256E-06    -1.24731853E-03
     1.60544142E-03    -5.99459284E-05    -1.78149634E-04     1.26039351E-04
    -2.86301164E-04    -2.37878036E-04     3.08810606E-04    -2.10709346E-03
     4.92837340E-04    -2.08856693E-04    -1.27848436E-04     4.04512583E-04
    -3.62054505E-04    -1.28681681E-04     1.56804634E-05    -2.51825791E-05
     6.52709875E-04    -1.99612683E-04     7.92389571E-05     2.40362970E-05
    -2.71808996E-03     2.18190952E-03     3.32668633E-03    -2.18670455E-03
     8.52147724E-04     2.78034374E-03     2.27294774E-03    -7.24530893E-04
    -4.94737311E-05     1.30197441E-03    -1.21892611E-03    -9.84555951E-04
     7.94711929E-04    -6.84101015E-04     2.06036794E-04    -1.81437481E-04
     9.57050295E-04    -1.15081322E-03     2.70595281E-04     2.43474869E-03
    -8.90296448E-04     1.02040402E-05     6.52165781E-04    -1.28838243E-04
     5.56715442E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   3.002408E+00 ->   2.586056E+00
           Unreweighted mean energy (a.u.)  :  -1.138682E+02 ->  -1.138599E+02


 Writing parameters to correlation.out.12.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 6
 NL2SOL iteration     : 3

 Current parameters:
 Be  6.84197715E-01     2.01711447E-02    -7.05983554E-01    -1.19142435E+00
     1.23963484E+01    -1.56877323E+01    -2.16974505E+01     6.14686164E+01
    -3.81018295E+01     1.73048827E+00     2.99611047E-03    -2.24904656E-02
     6.28322970E-02    -1.06559191E-01     1.43084065E-01    -1.43364467E-01
     8.67610977E-02    -2.63832133E-02     2.96147401E-03 Bm  2.20097639E+00
    -2.80456701E-01     3.19761140E-01    -1.59087925E-01     5.14581085E-02
    -8.57504846E-03    -3.06131462E-01     1.89464000E-01     3.32281704E-01
    -4.15111328E-01     1.18939387E-01 BP  6.00165782E+00     5.04675439E-05
    -1.93759920E-05    -9.61752815E-05     3.66812607E-05     1.15455486E-05
    -4.34155070E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.75667100E+00     5.19173855E-03    -5.64225141E-04     1.04826419E-03
    -1.33498701E-03     7.97169248E-04    -1.61390083E-04    -1.64465177E-06
     3.48702192E-06     9.23473070E-03     3.09220529E-03    -1.09374381E-02
     1.56374922E-02    -1.22703796E-02     5.17453927E-03    -1.08859467E-03
     8.96956217E-05 JX  3.49597838E+00    -2.41998228E-02    -1.02705369E-03
     3.13277869E-02    -3.67080969E-02     1.74081517E-02    -2.84134811E-03
 Jf  3.14261376E+00    -3.95225506E-05     5.74874451E-04    -1.88539700E-04
    -2.63816528E-03     3.39883712E-04    -6.13333929E-06    -1.32033087E-03
     1.62466601E-03    -8.99531242E-05    -1.57989511E-04     9.99440268E-05
    -2.29959588E-04    -2.83794867E-04     3.17327169E-04    -2.07695677E-03
     4.91229392E-04    -2.12483836E-04    -1.04438197E-04     3.90964058E-04
    -3.61629175E-04    -1.29818466E-04     2.63647565E-05    -2.71566557E-05
     6.48407121E-04    -2.01196039E-04     8.10793298E-05     1.98757623E-05
    -2.69935757E-03     2.16582250E-03     3.26214577E-03    -2.15267376E-03
     8.35221450E-04     2.76383726E-03     2.27195700E-03    -7.22768914E-04
    -4.99975240E-05     1.30711897E-03    -1.18760968E-03    -9.83351658E-04
     7.93995587E-04    -6.83377027E-04     2.03216251E-04    -1.80058388E-04
     9.61945861E-04    -1.15951384E-03     2.71315995E-04     2.43108463E-03
    -8.91377260E-04     1.08525921E-05     6.53595313E-04    -1.28831786E-04
     5.55249866E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.586056E+00 ->   2.522265E+00
           Unreweighted mean energy (a.u.)  :  -1.138599E+02 ->  -1.138602E+02


 Writing parameters to correlation.out.12.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 7
 NL2SOL iteration     : 4

 Current parameters:
 Be  6.69499889E-01     2.75811376E-02    -1.02429041E+00    -7.94114186E-01
     1.42315952E+01    -1.83039493E+01    -2.77650818E+01     6.97266352E+01
    -3.64733043E+01     1.78538705E+00     2.93523669E-03    -2.18569595E-02
     5.94053059E-02    -9.67107490E-02     1.25713463E-01    -1.22939663E-01
     7.21025961E-02    -2.09810379E-02     2.23101637E-03 Bm  2.20350287E+00
    -2.79683405E-01     3.09875951E-01    -1.42194965E-01     4.28757042E-02
    -7.32501822E-03    -3.14640118E-01     2.32193700E-01     2.42358318E-01
    -3.41724560E-01     9.97511745E-02 BP  6.03985107E+00     4.93901246E-05
    -1.90106436E-05    -9.35935461E-05     3.57539151E-05     1.10282655E-05
    -4.14362732E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.89686361E+00     4.67249861E-03    -1.06472931E-03     1.92744527E-03
    -1.82368893E-03     8.15128947E-04    -1.10212742E-04    -1.03531828E-05
     2.30427856E-06     8.25330232E-03     2.94399154E-03    -1.06895460E-02
     1.55250246E-02    -1.22010376E-02     5.16879733E-03    -1.09928649E-03
     9.22483480E-05 JX  3.49918625E+00    -2.43468072E-02    -1.02040367E-03
     3.17166159E-02    -3.72027675E-02     1.76272745E-02    -2.87845128E-03
 Jf  3.14260374E+00    -3.95927713E-05     5.91265573E-04    -1.84471518E-04
    -2.66842027E-03     3.48284109E-04    -1.13826031E-05    -1.38100470E-03
     1.63080263E-03    -9.76515824E-05    -1.43000273E-04     8.25966479E-05
    -1.86461155E-04    -3.13548370E-04     3.21685553E-04    -2.06064344E-03
     4.90647270E-04    -2.13699827E-04    -1.02809767E-04     3.82778195E-04
    -3.56112558E-04    -1.31059824E-04     3.19162431E-05    -2.81732007E-05
     6.44865092E-04    -2.01696040E-04     8.17823008E-05     1.83295625E-05
    -2.69584343E-03     2.16035870E-03     3.25801787E-03    -2.13644475E-03
     8.23839599E-04     2.76607107E-03     2.25263415E-03    -7.22741408E-04
    -5.34891164E-05     1.31719526E-03    -1.18979826E-03    -9.81833456E-04
     7.90274028E-04    -6.81036749E-04     2.02609180E-04    -1.77738457E-04
     9.60441305E-04    -1.15858171E-03     2.69100117E-04     2.43471212E-03
    -8.93787260E-04     1.16870030E-05     6.54915057E-04    -1.28622961E-04
     5.48102935E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.522265E+00 ->   2.487556E+00
           Unreweighted mean energy (a.u.)  :  -1.138602E+02 ->  -1.138594E+02


 Writing parameters to correlation.out.12.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 8
 NL2SOL iteration     : 5

 Current parameters:
 Be  6.55452459E-01     3.13182104E-02    -1.30346074E+00    -2.14235499E-01
     1.54651543E+01    -2.14902454E+01    -3.18098048E+01     8.38918251E+01
    -4.64067115E+01     1.81674505E+00     2.92929216E-03    -2.15490784E-02
     5.78068680E-02    -9.18043795E-02     1.16341973E-01    -1.12823452E-01
     6.55303728E-02    -1.81542775E-02     1.59602080E-03 Bm  2.20571866E+00
    -2.78454607E-01     2.98441097E-01    -1.20275190E-01     2.89346287E-02
    -4.41434820E-03    -3.30563852E-01     3.02848278E-01     1.25037574E-01
    -2.63801744E-01     8.23489253E-02 BP  6.10394178E+00     4.77483818E-05
    -1.84335194E-05    -8.92783515E-05     3.42808523E-05     1.01771177E-05
    -3.85985178E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79011733E+00     5.07489714E-03    -1.41057405E-03     2.75974885E-03
    -2.49441584E-03     1.00262348E-03    -6.05723663E-05    -4.89006360E-05
     8.80923390E-06     8.96934963E-03     2.94621692E-03    -1.07147176E-02
     1.55290500E-02    -1.22289905E-02     5.16053505E-03    -1.08561297E-03
     8.93696319E-05 JX  3.49714217E+00    -2.43866213E-02    -1.03521325E-03
     3.20055344E-02    -3.76747357E-02     1.78549559E-02    -2.91219752E-03
 Jf  3.14114654E+00    -4.25895535E-05     5.88067545E-04    -1.73022550E-04
    -2.67922387E-03     3.49644935E-04    -1.57557532E-05    -1.43754317E-03
     1.63845693E-03    -1.28231281E-04    -1.13148528E-04     5.56977084E-05
    -1.19095860E-04    -3.65885042E-04     3.30149802E-04    -2.03603422E-03
     4.89512593E-04    -2.14364533E-04    -8.09484314E-05     3.63193736E-04
    -3.49635324E-04    -1.34669447E-04     4.30321155E-05    -3.02758535E-05
     6.40327460E-04    -2.02298396E-04     8.23649553E-05     1.79411755E-05
    -2.69551557E-03     2.15289159E-03     3.23961302E-03    -2.12346927E-03
     8.18219925E-04     2.76515088E-03     2.24581733E-03    -7.27619299E-04
    -5.76537348E-05     1.32307363E-03    -1.17538796E-03    -9.90709735E-04
     7.90915285E-04    -6.77006722E-04     1.99700678E-04    -1.76260282E-04
     9.69177117E-04    -1.16408537E-03     2.68802306E-04     2.43451792E-03
    -8.92915121E-04     1.15633836E-05     6.57183114E-04    -1.29018603E-04
     5.48614135E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.487556E+00 ->   2.472456E+00
           Unreweighted mean energy (a.u.)  :  -1.138594E+02 ->  -1.138594E+02


 Writing parameters to correlation.out.12.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 9
 NL2SOL iteration     : 6

 Current parameters:
 Be  6.33587663E-01     3.19687250E-02    -1.46930705E+00     1.93864341E-01
     1.72317272E+01    -2.70040398E+01    -3.77483983E+01     1.13721880E+02
    -6.93709210E+01     1.84566640E+00     2.87939879E-03    -2.12517420E-02
     5.64495128E-02    -8.74592404E-02     1.08550563E-01    -1.04420413E-01
     5.99219367E-02    -1.60118961E-02     1.23804196E-03 Bm  2.20686724E+00
    -2.81422837E-01     3.02340794E-01    -1.22992766E-01     3.01862738E-02
    -4.70084584E-03    -3.45128838E-01     3.59266206E-01     3.89149579E-02
    -2.11413226E-01     7.15095526E-02 BP  6.28190928E+00     4.32163544E-05
    -1.66399448E-05    -7.91999941E-05     3.02235350E-05     8.49350239E-06
    -3.17456705E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79196635E+00     5.14864301E-03    -1.85364860E-03     3.62810196E-03
    -3.20613655E-03     1.18301333E-03     3.89902830E-06    -9.24557030E-05
     1.53335248E-05     9.03281075E-03     3.00356798E-03    -1.07680073E-02
     1.55279380E-02    -1.21979544E-02     5.14324766E-03    -1.08231728E-03
     8.93223641E-05 JX  3.49512898E+00    -2.45069175E-02    -1.05603054E-03
     3.22611139E-02    -3.80091647E-02     1.80315230E-02    -2.94311964E-03
 Jf  3.14262616E+00    -3.94335133E-05     6.21424260E-04    -1.83614049E-04
    -2.69204489E-03     3.54608679E-04    -1.68145445E-05    -1.49948761E-03
     1.63541872E-03    -1.32719465E-04    -1.07825851E-04     2.69850734E-05
    -4.06512224E-05    -4.01341892E-04     3.39157106E-04    -2.01475938E-03
     4.87724465E-04    -2.16331948E-04    -7.08850568E-05     3.43983764E-04
    -3.30966824E-04    -1.40692073E-04     5.13591104E-05    -3.31420262E-05
     6.31992439E-04    -2.01480922E-04     8.31170682E-05     1.90889786E-05
    -2.69332658E-03     2.14613740E-03     3.22893482E-03    -2.11089851E-03
     8.11394652E-04     2.76587190E-03     2.24046226E-03    -7.24937496E-04
    -5.81605600E-05     1.32766937E-03    -1.16957723E-03    -9.98878450E-04
     7.91103990E-04    -6.72616549E-04     1.97695371E-04    -1.74607479E-04
     9.68227610E-04    -1.16636786E-03     2.67873627E-04     2.43921487E-03
    -8.93232548E-04     1.18056134E-05     6.58252343E-04    -1.29148651E-04
     5.46707953E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.472456E+00 ->   2.467775E+00
           Unreweighted mean energy (a.u.)  :  -1.138594E+02 ->  -1.138606E+02


 Writing parameters to correlation.out.12.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 10
 NL2SOL iteration     : 7

 Current parameters:
 Be  6.51968181E-01     3.33732743E-02    -1.48662346E+00     4.34356624E-01
     1.54715055E+01    -2.39254244E+01    -3.25386828E+01     9.33232728E+01
    -5.38912133E+01     1.88071570E+00     2.92631607E-03    -2.10982547E-02
     5.46046973E-02    -8.26695798E-02     1.00550944E-01    -9.50511174E-02
     5.35924168E-02    -1.40008269E-02     1.04059001E-03 Bm  2.21282099E+00
    -2.81995937E-01     3.07671329E-01    -1.26224195E-01     3.07354398E-02
    -4.71131964E-03    -3.46210176E-01     3.68519230E-01     2.69669382E-02
    -2.02996189E-01     6.94954629E-02 BP  6.65638429E+00     3.42512261E-05
    -1.31628608E-05    -6.28863977E-05     2.36253429E-05     5.82823584E-06
    -2.06987079E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.81379315E+00     4.96401333E-03    -1.77417507E-03     3.82895999E-03
    -3.39059342E-03     1.19949056E-03     2.57916257E-05    -9.49276877E-05
     1.43226227E-05     8.74377461E-03     2.87964960E-03    -1.06787533E-02
     1.54973623E-02    -1.21901439E-02     5.14133804E-03    -1.08200947E-03
     8.90791528E-05 JX  3.49697487E+00    -2.44294236E-02    -1.07110488E-03
     3.23003387E-02    -3.80671785E-02     1.80312781E-02    -2.93507151E-03
 Jf  3.13484458E+00    -4.35097870E-05     6.08677733E-04    -1.81628315E-04
    -2.72998368E-03     3.57634436E-04    -1.38099550E-05    -1.50214592E-03
     1.65930920E-03    -1.53844515E-04    -1.00602139E-04     2.20922754E-05
    -2.32386978E-05    -4.16633718E-04     3.43068246E-04    -2.01222630E-03
     4.87395052E-04    -2.16522633E-04    -5.21187320E-05     3.41768945E-04
    -3.38662110E-04    -1.46031523E-04     5.51309924E-05    -3.30518194E-05
     6.30226975E-04    -2.01233278E-04     8.28703715E-05     1.64007685E-05
    -2.70328442E-03     2.14895302E-03     3.22821892E-03    -2.11116321E-03
     8.10109073E-04     2.77085005E-03     2.23919318E-03    -7.36740108E-04
    -6.44080065E-05     1.32800807E-03    -1.17136400E-03    -1.00105748E-03
     7.91213051E-04    -6.70703558E-04     1.97213195E-04    -1.74167263E-04
     9.76837192E-04    -1.16499734E-03     2.67973103E-04     2.43849404E-03
    -8.93253307E-04     1.16962604E-05     6.57996179E-04    -1.29290314E-04
     5.48665915E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.467775E+00 ->   2.534585E+00
           Unreweighted mean energy (a.u.)  :  -1.138606E+02 ->  -1.138626E+02


 Writing parameters to correlation.out.12.

 Current parameters:
 Be  6.28691133E-01     3.30205850E-02    -1.52320560E+00     2.51454775E-01
     1.77966387E+01    -2.82313129E+01    -3.97848421E+01     1.20218945E+02
    -7.28453329E+01     1.86278321E+00     2.86819014E-03    -2.10462342E-02
     5.54379500E-02    -8.50846031E-02     1.04580301E-01    -9.97092944E-02
     5.67159384E-02    -1.49971535E-02     1.13859396E-03 Bm  2.21095691E+00
    -2.81118779E-01     3.01985484E-01    -1.21807851E-01     2.96644757E-02
    -4.70868155E-03    -3.44604000E-01     3.60189067E-01     3.46413493E-02
    -2.05700360E-01     6.96762801E-02 BP  6.32137613E+00     4.22412160E-05
    -1.62372750E-05    -7.72592068E-05     2.93784447E-05     8.19751921E-06
    -3.03266378E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79018015E+00     5.15507933E-03    -1.83390867E-03     3.67011565E-03
    -3.25159843E-03     1.19391484E-03     8.31366490E-06    -9.48508529E-05
     1.56270381E-05     9.05389285E-03     2.99497639E-03    -1.07694792E-02
     1.55304678E-02    -1.21966706E-02     5.14192075E-03    -1.08212272E-03
     8.93100770E-05 JX  3.49683395E+00    -2.44394532E-02    -1.05307337E-03
     3.22687083E-02    -3.80302126E-02     1.80408966E-02    -2.94568496E-03
 Jf  3.14207503E+00    -3.90503356E-05     6.20669314E-04    -1.83582206E-04
    -2.69626153E-03     3.55746857E-04    -1.68297624E-05    -1.50045761E-03
     1.63711168E-03    -1.36485075E-04    -1.06235064E-04     2.54525004E-05
    -3.63284705E-05    -4.03841337E-04     3.39727674E-04    -2.01333713E-03
     4.87679698E-04    -2.16563192E-04    -6.80335381E-05     3.43226234E-04
    -3.31537647E-04    -1.41536535E-04     5.18840787E-05    -3.32072605E-05
     6.31544477E-04    -2.01448830E-04     8.31604384E-05     1.91738479E-05
    -2.69384584E-03     2.14633927E-03     3.22873169E-03    -2.10986768E-03
     8.10094084E-04     2.76604332E-03     2.24052689E-03    -7.26474174E-04
    -5.93571069E-05     1.32768620E-03    -1.16898618E-03    -9.99533410E-04
     7.91082934E-04    -6.72378736E-04     1.97639864E-04    -1.74408857E-04
     9.69495683E-04    -1.16627297E-03     2.67570192E-04     2.43952647E-03
    -8.93269824E-04     1.18229206E-05     6.58204551E-04    -1.29163254E-04
     5.46620391E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.534585E+00 ->   2.464620E+00
           Unreweighted mean energy (a.u.)  :  -1.138626E+02 ->  -1.138597E+02


 Writing parameters to correlation.out.12.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 12
 NL2SOL iteration     : 8

 Current parameters:
 Be  6.09936171E-01     3.47178882E-02    -1.66277331E+00     3.24211363E-01
     2.01443999E+01    -3.29789067E+01    -4.80533563E+01     1.48584289E+02
    -9.12095261E+01     1.85990881E+00     2.87280482E-03    -2.11030566E-02
     5.56489089E-02    -8.54741230E-02     1.05192244E-01    -1.00493188E-01
     5.72570850E-02    -1.51491538E-02     1.14537729E-03 Bm  2.21704977E+00
    -2.80147082E-01     3.00145653E-01    -1.19675189E-01     2.92147543E-02
    -4.88917782E-03    -3.42270180E-01     3.57865868E-01     3.13408842E-02
    -1.98189705E-01     6.69474671E-02 BP  6.35406657E+00     4.14889287E-05
    -1.59175205E-05    -7.56671478E-05     2.86934571E-05     7.96186826E-06
    -2.92610567E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.80035941E+00     5.11465476E-03    -1.82416908E-03     3.71207735E-03
    -3.29656140E-03     1.20416462E-03     1.28757418E-05    -9.70120609E-05
     1.57846289E-05     8.98930611E-03     2.98079629E-03    -1.07648274E-02
     1.55367506E-02    -1.21941012E-02     5.13976585E-03    -1.08237319E-03
     8.94661951E-05 JX  3.49848135E+00    -2.44045125E-02    -1.06191188E-03
     3.22860952E-02    -3.80549954E-02     1.80525657E-02    -2.94877886E-03
 Jf  3.14198261E+00    -3.85849081E-05     6.20315556E-04    -1.83582381E-04
    -2.70049678E-03     3.56394684E-04    -1.67377319E-05    -1.50262645E-03
     1.63910840E-03    -1.39800951E-04    -1.05386555E-04     2.42475069E-05
    -3.17591355E-05    -4.06176168E-04     3.40261383E-04    -2.01204958E-03
     4.87562696E-04    -2.16647729E-04    -6.52360236E-05     3.42392374E-04
    -3.31784529E-04    -1.42154849E-04     5.24128611E-05    -3.32914631E-05
     6.31003687E-04    -2.01448333E-04     8.32312886E-05     1.86073627E-05
    -2.69386019E-03     2.14580909E-03     3.22856052E-03    -2.10856052E-03
     8.08676735E-04     2.76677342E-03     2.24074128E-03    -7.27343003E-04
    -6.00523464E-05     1.32757697E-03    -1.16834753E-03    -9.99839048E-04
     7.91011559E-04    -6.72121942E-04     1.97678710E-04    -1.74203107E-04
     9.70428396E-04    -1.16628349E-03     2.67282206E-04     2.44017704E-03
    -8.93390728E-04     1.18744686E-05     6.58009994E-04    -1.29165157E-04
     5.46324034E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.464620E+00 ->   2.465012E+00
           Unreweighted mean energy (a.u.)  :  -1.138597E+02 ->  -1.138576E+02


 Writing parameters to correlation.out.12.

 Current parameters:
 Be  6.10308900E-01     3.44003613E-02    -1.63999244E+00     2.79748820E-01
     2.00455782E+01    -3.28041230E+01    -4.76487478E+01     1.48063902E+02
    -9.13996760E+01     1.86042491E+00     2.86971504E-03    -2.10790526E-02
     5.55912338E-02    -8.54087974E-02     1.05097499E-01    -1.00347399E-01
     5.71530249E-02    -1.51270376E-02     1.14748182E-03 Bm  2.21687475E+00
    -2.80333258E-01     3.00601494E-01    -1.20018883E-01     2.91810433E-02
    -4.83301485E-03    -3.42627483E-01     3.57651472E-01     3.40784417E-02
    -2.01169015E-01     6.77985013E-02 BP  6.33922506E+00     4.18498727E-05
    -1.60596733E-05    -7.63864558E-05     2.89890183E-05     8.07695447E-06
    -2.97568330E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79752303E+00     5.12689471E-03    -1.81543249E-03     3.67989524E-03
    -3.26868213E-03     1.19790010E-03     1.01897579E-05    -9.56062179E-05
     1.56293535E-05     9.01088930E-03     2.98619150E-03    -1.07659669E-02
     1.55350324E-02    -1.21957740E-02     5.14073196E-03    -1.08231775E-03
     8.94201727E-05 JX  3.49821344E+00    -2.44067899E-02    -1.05605217E-03
     3.22720164E-02    -3.80386468E-02     1.80447951E-02    -2.94736744E-03
 Jf  3.14216368E+00    -3.84889303E-05     6.20234635E-04    -1.83581488E-04
    -2.69822774E-03     3.56039860E-04    -1.67300974E-05    -1.50088566E-03
     1.63810540E-03    -1.39062610E-04    -1.05688666E-04     2.50396921E-05
    -3.45814282E-05    -4.04704645E-04     3.39906719E-04    -2.01289884E-03
     4.87642549E-04    -2.16598512E-04    -6.63088584E-05     3.43062698E-04
    -3.31939998E-04    -1.41807057E-04     5.20522641E-05    -3.32349328E-05
     6.31325663E-04    -2.01445242E-04     8.31962783E-05     1.86708920E-05
    -2.69388686E-03     2.14612566E-03     3.22865444E-03    -2.10945947E-03
     8.09535247E-04     2.76638983E-03     2.24118138E-03    -7.26810467E-04
    -5.97014410E-05     1.32756980E-03    -1.16863384E-03    -9.99725709E-04
     7.91066872E-04    -6.72295533E-04     1.97658035E-04    -1.74313395E-04
     9.69878905E-04    -1.16624768E-03     2.67340059E-04     2.43978155E-03
    -8.93302377E-04     1.18644310E-05     6.58101942E-04    -1.29173265E-04
     5.46463817E-05

 Rejected step:
 Variance  :   2.465012E+00 ->   2.465546E+00
 Energy    :  -1.138576E+02 ->  -1.138577E+02

 Current parameters:
 Be  6.13292613E-01     3.38078560E-02    -1.60770281E+00     2.60007605E-01
     1.96323890E+01    -3.19895027E+01    -4.61793391E+01     1.43135268E+02
    -8.82649724E+01     1.86040435E+00     2.86883193E-03    -2.10726532E-02
     5.55811124E-02    -8.54133044E-02     1.05112331E-01    -1.00350316E-01
     5.71524892E-02    -1.51314961E-02     1.15005879E-03 Bm  2.21593875E+00
    -2.80270700E-01     3.00683812E-01    -1.20515208E-01     2.92487058E-02
    -4.76376083E-03    -3.43184630E-01     3.58517824E-01     3.46213721E-02
    -2.03146728E-01     6.85387182E-02 BP  6.32882197E+00     4.20907024E-05
    -1.61605198E-05    -7.68921338E-05     2.92101449E-05     8.14976161E-06
    -3.01008320E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79291538E+00     5.14372659E-03    -1.82199435E-03     3.66923776E-03
    -3.25498901E-03     1.19456888E-03     8.71324693E-06    -9.49599090E-05
     1.55899385E-05     9.04207042E-03     2.99129536E-03    -1.07678652E-02
     1.55315480E-02    -1.21967563E-02     5.14158023E-03    -1.08216787E-03
     8.93558370E-05 JX  3.49724412E+00    -2.44298199E-02    -1.05577328E-03
     3.22691771E-02    -3.80307918E-02     1.80413668E-02    -2.94621758E-03
 Jf  3.14218907E+00    -3.87171330E-05     6.20670921E-04    -1.83590706E-04
    -2.69654946E-03     3.55788057E-04    -1.68134297E-05    -1.50038808E-03
     1.63731867E-03    -1.38104438E-04    -1.05850314E-04     2.54027866E-05
    -3.60311605E-05    -4.04019767E-04     3.39735381E-04    -2.01333880E-03
     4.87667302E-04    -2.16564064E-04    -6.73648143E-05     3.43270246E-04
    -3.31697532E-04    -1.41570628E-04     5.18937340E-05    -3.32212333E-05
     6.31500093E-04    -2.01444303E-04     8.31772400E-05     1.88400512E-05
    -2.69386204E-03     2.14629922E-03     3.22886637E-03    -2.10978814E-03
     8.09991336E-04     2.76621569E-03     2.24088683E-03    -7.26456913E-04
    -5.95341585E-05     1.32764694E-03    -1.16892387E-03    -9.99616132E-04
     7.91089622E-04    -6.72379580E-04     1.97638209E-04    -1.74400204E-04
     9.69421521E-04    -1.16626474E-03     2.67588054E-04     2.43952487E-03
    -8.93267388E-04     1.18416590E-05     6.58176452E-04    -1.29168320E-04
     5.46567754E-05

 Rejected step:
 Variance  :   2.465012E+00 ->   2.465876E+00
 Energy    :  -1.138576E+02 ->  -1.138581E+02

 Current parameters:
 Be  6.18457310E-01     3.32369013E-02    -1.57575193E+00     2.59848992E-01
     1.89958889E+01    -3.06564956E+01    -4.39028176E+01     1.34903489E+02
    -8.28706095E+01     1.86049898E+00     2.86864370E-03    -2.10714967E-02
     5.55740856E-02    -8.53993751E-02     1.05093590E-01    -1.00323628E-01
     5.71347975E-02    -1.51265209E-02     1.14982841E-03 Bm  2.21367135E+00
    -2.80451775E-01     3.01015541E-01    -1.21213491E-01     2.94334088E-02
    -4.71826469E-03    -3.43748801E-01     3.59084372E-01     3.44967482E-02
    -2.04459751E-01     6.90926652E-02 BP  6.32357771E+00     4.21988604E-05
    -1.62138937E-05    -7.71490751E-05     2.93286363E-05     8.18391359E-06
    -3.02594849E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79078161E+00     5.15060606E-03    -1.83063202E-03     3.66973528E-03
    -3.25229990E-03     1.19392181E-03     8.32960600E-06    -9.48947064E-05
     1.56042450E-05     9.05044238E-03     2.99362835E-03    -1.07694441E-02
     1.55304060E-02    -1.21967988E-02     5.14185746E-03    -1.08210985E-03
     8.93330433E-05 JX  3.49681804E+00    -2.44393950E-02    -1.05465674E-03
     3.22692392E-02    -3.80298339E-02     1.80411498E-02    -2.94570433E-03
 Jf  3.14209485E+00    -3.90043635E-05     6.20768266E-04    -1.83582822E-04
    -2.69619452E-03     3.55757171E-04    -1.68440310E-05    -1.50038056E-03
     1.63720255E-03    -1.37155526E-04    -1.06116150E-04     2.54554928E-05
    -3.62935731E-05    -4.03900996E-04     3.39722182E-04    -2.01336559E-03
     4.87671309E-04    -2.16567133E-04    -6.78862442E-05     3.43245360E-04
    -3.31520423E-04    -1.41574895E-04     5.18801347E-05    -3.32119438E-05
     6.31530717E-04    -2.01448724E-04     8.31643414E-05     1.90769467E-05
    -2.69380622E-03     2.14634151E-03     3.22893003E-03    -2.10981223E-03
     8.10097994E-04     2.76608112E-03     2.24063604E-03    -7.26510082E-04
    -5.93893007E-05     1.32769500E-03    -1.16899357E-03    -9.99556954E-04
     7.91085873E-04    -6.72378802E-04     1.97637471E-04    -1.74412754E-04
     9.69481888E-04    -1.16626787E-03     2.67637116E-04     2.43949664E-03
    -8.93269052E-04     1.18270747E-05     6.58195480E-04    -1.29165833E-04
     5.46590940E-05

 Rejected step:
 Variance  :   2.465012E+00 ->   2.465735E+00
 Energy    :  -1.138576E+02 ->  -1.138587E+02

 Current parameters:
 Be  6.23753748E-01     3.30399619E-02    -1.54781599E+00     2.56608624E-01
     1.83653604E+01    -2.93681100E+01    -4.17112038E+01     1.27052084E+02
    -7.75466068E+01     1.86069971E+00     2.86844390E-03    -2.10694919E-02
     5.55622464E-02    -8.53709163E-02     1.05049242E-01    -1.00268972E-01
     5.70979513E-02    -1.51151534E-02     1.14878886E-03 Bm  2.21199634E+00
    -2.80895252E-01     3.01516308E-01    -1.21621542E-01     2.95646991E-02
    -4.71379165E-03    -3.44372741E-01     3.59562454E-01     3.44748449E-02
    -2.05279538E-01     6.94370893E-02 BP  6.32090371E+00     4.22515644E-05
    -1.62417850E-05    -7.72812069E-05     2.93898830E-05     8.20091846E-06
    -3.03387842E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79025821E+00     5.15356239E-03    -1.83362613E-03     3.67000120E-03
    -3.25178831E-03     1.19383925E-03     8.26762198E-06    -9.48805127E-05
     1.56147308E-05     9.05281893E-03     2.99452008E-03    -1.07696599E-02
     1.55303896E-02    -1.21966858E-02     5.14193523E-03    -1.08210350E-03
     8.93216149E-05 JX  3.49691718E+00    -2.44403437E-02    -1.05397962E-03
     3.22688451E-02    -3.80300323E-02     1.80410195E-02    -2.94564194E-03
 Jf  3.14207502E+00    -3.90262202E-05     6.20716291E-04    -1.83578550E-04
    -2.69618584E-03     3.55762206E-04    -1.68272284E-05    -1.50041711E-03
     1.63718076E-03    -1.36662455E-04    -1.06224815E-04     2.54561818E-05
    -3.63232925E-05    -4.03862091E-04     3.39724581E-04    -2.01334319E-03
     4.87676490E-04    -2.16567452E-04    -6.80299118E-05     3.43229616E-04
    -3.31527422E-04    -1.41561839E-04     5.18816895E-05    -3.32090584E-05
     6.31539529E-04    -2.01449972E-04     8.31594525E-05     1.91731213E-05
    -2.69380587E-03     2.14634860E-03     3.22884277E-03    -2.10984014E-03
     8.10104925E-04     2.76607219E-03     2.24057167E-03    -7.26486271E-04
    -5.93246241E-05     1.32770272E-03    -1.16898084E-03    -9.99536618E-04
     7.91083528E-04    -6.72375153E-04     1.97638901E-04    -1.74411929E-04
     9.69516893E-04    -1.16626412E-03     2.67600465E-04     2.43951701E-03
    -8.93269718E-04     1.18230899E-05     6.58201807E-04    -1.29164499E-04
     5.46602252E-05

 Rejected step:
 Variance  :   2.465012E+00 ->   2.464625E+00
 Energy    :  -1.138576E+02 ->  -1.138591E+02

 Current parameters:
 Be  6.26116612E-01     3.30223474E-02    -1.53592999E+00     2.54241721E-01
     1.80906473E+01    -2.88169920E+01    -4.07758486E+01     1.23727210E+02
    -7.52596315E+01     1.86138916E+00     2.86831781E-03    -2.10618031E-02
     5.55211234E-02    -8.52759291E-02     1.04893880E-01    -1.00083292E-01
     5.69712358E-02    -1.50759834E-02     1.14540432E-03 Bm  2.21152764E+00
    -2.81017062E-01     3.01700634E-01    -1.21717372E-01     2.96054481E-02
    -4.71286629E-03    -3.44533109E-01     3.59770432E-01     3.45126221E-02
    -2.05485881E-01     6.95388929E-02 BP  6.32092904E+00     4.22505656E-05
    -1.62417205E-05    -7.72805889E-05     2.93890304E-05     8.20056604E-06
    -3.03388934E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79020191E+00     5.15432790E-03    -1.83396852E-03     3.67001903E-03
    -3.25170515E-03     1.19386075E-03     8.28206316E-06    -9.48681107E-05
     1.56202363E-05     9.05339643E-03     2.99470385E-03    -1.07695951E-02
     1.55304362E-02    -1.21966620E-02     5.14193883E-03    -1.08210909E-03
     8.93168572E-05 JX  3.49689420E+00    -2.44400048E-02    -1.05370310E-03
     3.22687010E-02    -3.80301382E-02     1.80409591E-02    -2.94565530E-03
 Jf  3.14207217E+00    -3.90339366E-05     6.20696121E-04    -1.83578183E-04
    -2.69620910E-03     3.55759483E-04    -1.68231289E-05    -1.50043419E-03
     1.63715265E-03    -1.36556064E-04    -1.06230737E-04     2.54564620E-05
    -3.63246181E-05    -4.03849981E-04     3.39726307E-04    -2.01333724E-03
     4.87678654E-04    -2.16565179E-04    -6.80367717E-05     3.43228377E-04
    -3.31532406E-04    -1.41549325E-04     5.18830384E-05    -3.32081346E-05
     6.31542595E-04    -2.01449435E-04     8.31597026E-05     1.91765778E-05
    -2.69381945E-03     2.14634684E-03     3.22879821E-03    -2.10985061E-03
     8.10103666E-04     2.76606434E-03     2.24055319E-03    -7.26475592E-04
    -5.93314328E-05     1.32769797E-03    -1.16897987E-03    -9.99533342E-04
     7.91083336E-04    -6.72374524E-04     1.97639885E-04    -1.74410070E-04
     9.69510045E-04    -1.16626652E-03     2.67586251E-04     2.43952286E-03
    -8.93269591E-04     1.18228551E-05     6.58203929E-04    -1.29163757E-04
     5.46611743E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.465012E+00 ->   2.464555E+00
           Unreweighted mean energy (a.u.)  :  -1.138576E+02 ->  -1.138593E+02


 Writing parameters to correlation.out.12.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 18
 NL2SOL iteration     : 9

 Current parameters:
 Be  6.21885513E-01     3.30350444E-02    -1.55728920E+00     2.58666223E-01
     1.85867735E+01    -2.98115788E+01    -4.24656626E+01     1.29759684E+02
    -7.93959017E+01     1.85774222E+00     2.86862976E-03    -2.11026116E-02
     5.57395389E-02    -8.57793252E-02     1.05719607E-01    -1.01069862E-01
     5.76453269E-02    -1.52845690E-02     1.16335985E-03 Bm  2.21274266E+00
    -2.80773142E-01     3.01135177E-01    -1.21505000E-01     2.94883625E-02
    -4.71851942E-03    -3.44269792E-01     3.59009212E-01     3.43043544E-02
    -2.05001912E-01     6.92586897E-02 BP  6.32087607E+00     4.22519946E-05
    -1.62421290E-05    -7.72827571E-05     2.93904372E-05     8.20099888E-06
    -3.03400000E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79029491E+00     5.15284461E-03    -1.83418464E-03     3.66980629E-03
    -3.25190556E-03     1.19377688E-03     8.23121658E-06    -9.48991749E-05
     1.56074777E-05     9.05241238E-03     2.99434666E-03    -1.07697534E-02
     1.55303710E-02    -1.21966645E-02     5.14196251E-03    -1.08208529E-03
     8.93303172E-05 JX  3.49696160E+00    -2.44409581E-02    -1.05445857E-03
     3.22688901E-02    -3.80299422E-02     1.80410871E-02    -2.94560805E-03
 Jf  3.14206852E+00    -3.90048379E-05     6.20737864E-04    -1.83575662E-04
    -2.69613431E-03     3.55774155E-04    -1.68225300E-05    -1.50040061E-03
     1.63722690E-03    -1.36668030E-04    -1.06222926E-04     2.54576890E-05
    -3.63220441E-05    -4.03871592E-04     3.39722627E-04    -2.01334280E-03
     4.87675522E-04    -2.16569330E-04    -6.80358525E-05     3.43229153E-04
    -3.31528602E-04    -1.41577936E-04     5.18801713E-05    -3.32101605E-05
     6.31537722E-04    -2.01450621E-04     8.31586940E-05     1.91781894E-05
    -2.69378222E-03     2.14635486E-03     3.22889936E-03    -2.10982637E-03
     8.10111552E-04     2.76608964E-03     2.24059010E-03    -7.26483746E-04
    -5.92927343E-05     1.32771525E-03    -1.16897481E-03    -9.99534603E-04
     7.91084258E-04    -6.72371293E-04     1.97638884E-04    -1.74413105E-04
     9.69538527E-04    -1.16625673E-03     2.67622312E-04     2.43951702E-03
    -8.93269172E-04     1.18232056E-05     6.58201463E-04    -1.29164911E-04
     5.46594918E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.464555E+00 ->   2.465150E+00
           Unreweighted mean energy (a.u.)  :  -1.138593E+02 ->  -1.138592E+02


 Writing parameters to correlation.out.12.

 Current parameters:
 Be  6.24849653E-01     3.30236545E-02    -1.54225659E+00     2.55636255E-01
     1.82376406E+01    -2.91102337E+01    -4.12730134E+01     1.25499621E+02
    -7.64728085E+01     1.86013383E+00     2.86836042E-03    -2.10759344E-02
     5.55960906E-02    -8.54487834E-02     1.05177189E-01    -1.00421575E-01
     5.72022143E-02    -1.51474225E-02     1.15153947E-03 Bm  2.21192939E+00
    -2.80945601E-01     3.01498774E-01    -1.21654101E-01     2.95640070E-02
    -4.71570709E-03    -3.44477678E-01     3.59479135E-01     3.44239306E-02
    -2.05334478E-01     6.94428844E-02 BP  6.32097670E+00     4.22495866E-05
    -1.62412417E-05    -7.72782957E-05     2.93879106E-05     8.20022606E-06
    -3.03376244E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79022146E+00     5.15388416E-03    -1.83410084E-03     3.66993844E-03
    -3.25177051E-03     1.19382974E-03     8.26364314E-06    -9.48784755E-05
     1.56160510E-05     9.05311017E-03     2.99457017E-03    -1.07696520E-02
     1.55304243E-02    -1.21966525E-02     5.14195200E-03    -1.08209979E-03
     8.93214135E-05 JX  3.49692176E+00    -2.44403110E-02    -1.05397859E-03
     3.22687378E-02    -3.80300807E-02     1.80410005E-02    -2.94563675E-03
 Jf  3.14206948E+00    -3.90251123E-05     6.20709316E-04    -1.83576937E-04
    -2.69618302E-03     3.55765041E-04    -1.68218084E-05    -1.50042371E-03
     1.63717705E-03    -1.36585140E-04    -1.06228808E-04     2.54572785E-05
    -3.63240040E-05    -4.03856487E-04     3.39725133E-04    -2.01333848E-03
     4.87677735E-04    -2.16566577E-04    -6.80378944E-05     3.43228508E-04
    -3.31531643E-04    -1.41559095E-04     5.18820741E-05    -3.32088092E-05
     6.31541039E-04    -2.01449886E-04     8.31592213E-05     1.91784315E-05
    -2.69380628E-03     2.14635027E-03     3.22883106E-03    -2.10984253E-03
     8.10107060E-04     2.76607329E-03     2.24056496E-03    -7.26474458E-04
    -5.93157042E-05     1.32770430E-03    -1.16897749E-03    -9.99533549E-04
     7.91083523E-04    -6.72373098E-04     1.97639652E-04    -1.74410976E-04
     9.69521163E-04    -1.16626298E-03     2.67597297E-04     2.43952073E-03
    -8.93269529E-04     1.18228285E-05     6.58203297E-04    -1.29164102E-04
     5.46606479E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.465150E+00 ->   2.464540E+00
           Unreweighted mean energy (a.u.)  :  -1.138592E+02 ->  -1.138592E+02


 Writing parameters to correlation.out.12.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 20
 NL2SOL iteration     : 10

 Current parameters:
 Be  6.23983345E-01     3.30249387E-02    -1.54657124E+00     2.56670214E-01
     1.83391597E+01    -2.93125780E+01    -4.16169247E+01     1.26727347E+02
    -7.73196334E+01     1.85967137E+00     2.86836226E-03    -2.10811638E-02
     5.56237176E-02    -8.55126156E-02     1.05281769E-01    -1.00546568E-01
     5.72875663E-02    -1.51738485E-02     1.15380239E-03 Bm  2.21214199E+00
    -2.80894250E-01     3.01410913E-01    -1.21609108E-01     2.95482623E-02
    -4.71398585E-03    -3.44439338E-01     3.59333261E-01     3.43809594E-02
    -2.05252774E-01     6.93927675E-02 BP  6.32106853E+00     4.22477044E-05
    -1.62403144E-05    -7.72738589E-05     2.93857558E-05     8.19960495E-06
    -3.03350731E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79023001E+00     5.15368499E-03    -1.83416578E-03     3.66990224E-03
    -3.25179777E-03     1.19381748E-03     8.25586398E-06    -9.48832315E-05
     1.56140589E-05     9.05295693E-03     2.99451878E-03    -1.07696724E-02
     1.55304211E-02    -1.21966473E-02     5.14195856E-03    -1.08209525E-03
     8.93236120E-05 JX  3.49693544E+00    -2.44404579E-02    -1.05405959E-03
     3.22687667E-02    -3.80300504E-02     1.80410211E-02    -2.94562766E-03
 Jf  3.14206828E+00    -3.90206888E-05     6.20714118E-04    -1.83576737E-04
    -2.69617398E-03     3.55766661E-04    -1.68219598E-05    -1.50042009E-03
     1.63718842E-03    -1.36596834E-04    -1.06227864E-04     2.54572100E-05
    -3.63241996E-05    -4.03859624E-04     3.39724540E-04    -2.01333949E-03
     4.87677235E-04    -2.16567259E-04    -6.80379207E-05     3.43228308E-04
    -3.31531915E-04    -1.41563914E-04     5.18815729E-05    -3.32091457E-05
     6.31540204E-04    -2.01450117E-04     8.31589863E-05     1.91800106E-05
    -2.69380153E-03     2.14635141E-03     3.22884293E-03    -2.10983978E-03
     8.10107855E-04     2.76607632E-03     2.24057028E-03    -7.26475241E-04
    -5.93096333E-05     1.32770641E-03    -1.16897703E-03    -9.99534158E-04
     7.91083503E-04    -6.72373041E-04     1.97639417E-04    -1.74411498E-04
     9.69525982E-04    -1.16626181E-03     2.67602157E-04     2.43951905E-03
    -8.93269608E-04     1.18227771E-05     6.58202828E-04    -1.29164300E-04
     5.46603709E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.464540E+00 ->   2.464500E+00
           Unreweighted mean energy (a.u.)  :  -1.138592E+02 ->  -1.138594E+02


 Writing parameters to correlation.out.12.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m10s]

 NL2SOL return code : 10
 Exceeded OPT_MAXITER iterations.

 Optimization halted: minimum not reached within target accuracy.

 Iterations           : 10
 Function evaluations : 31
 Variance reduced to  : 0.24645003E+01

 Writing parameters to correlation.out.12.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 13
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m7s remaining]
  DTVMC #1:   1.4370E-01 (optimized)
  DTVMC #2:   1.1711E-01 (optimized)
 Done. [total CPU time: 5m8s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  52.1526
 Acceptance ratio #2 <level 1>        (%)  =  51.8221
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3654
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0387
 Diffusion constant #1           (Bohr^2)  = 1.1527E-02
 Diffusion constant #2           (Bohr^2)  = 9.2985E-03
 Correlation time                 (steps)  = 2.9209E+00 +- 3.0990E-01
 Efficiency                  (au^-2 s^-1)  = 1.3520E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.824640544645
  Standard error                        +/-           0.022411653173

  Kinetic energy KEI (used in Total) (au) =         111.518841406394
  Standard error                        +/-           1.056835733383

  Kinetic energy TI                  (au) =         113.213196089305
  Standard error                        +/-           0.826746904676

  Kinetic energy FISQ                (au) =         114.907550772216
  Standard error                        +/-           1.203925034357

  Potential energy                   (au) =        -267.235068432880
  Standard error                        +/-           1.052785234661

  e-e interaction                    (au) =          78.151428406013
  Standard error                        +/-           0.096037234324

  e-n interaction                    (au) =        -345.386496838893
  Standard error                        +/-           1.076003533874

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.536419318761
  Standard error                        +/-           0.343808540773

  Maximum distance from origin       (au) =           8.587669011291

  Particles affected per move       (%) :  99.9977


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  52.0088
 Acceptance ratio #2 <level 1>        (%)  =  52.3113
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2835
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.4568
 Diffusion constant #1           (Bohr^2)  = 1.1340E-02
 Diffusion constant #2           (Bohr^2)  = 9.1971E-03
 Correlation time                 (steps)  = 3.3694E+00 +- 3.4077E-01
 Efficiency                  (au^-2 s^-1)  = 1.6007E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.777589212917
  Standard error                        +/-           0.017533100923

  Kinetic energy KEI (used in Total) (au) =         110.817435195871
  Standard error                        +/-           1.048710445161

  Kinetic energy TI                  (au) =         112.250686772641
  Standard error                        +/-           0.587255458741

  Kinetic energy FISQ                (au) =         113.683938349410
  Standard error                        +/-           0.557448571630

  Potential energy                   (au) =        -266.486610890629
  Standard error                        +/-           1.046141799448

  e-e interaction                    (au) =          77.512259456654
  Standard error                        +/-           0.101615591182

  e-n interaction                    (au) =        -343.998870347283
  Standard error                        +/-           1.072410586327

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.547525484181
  Standard error                        +/-           0.073914547677

  Maximum distance from origin       (au) =           9.668047184601

  Particles affected per move       (%) :  99.9547


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.5795
 Acceptance ratio #2 <level 1>        (%)  =  52.0243
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7833
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2783
 Diffusion constant #1           (Bohr^2)  = 1.0919E-02
 Diffusion constant #2           (Bohr^2)  = 9.1739E-03
 Correlation time                 (steps)  = 3.7534E+00 +- 4.2723E-01
 Efficiency                  (au^-2 s^-1)  = 1.2814E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.842811803606
  Standard error                        +/-           0.018456772652

  Kinetic energy KEI (used in Total) (au) =         116.947050291125
  Standard error                        +/-           0.876168494062

  Kinetic energy TI                  (au) =         115.518113159720
  Standard error                        +/-           0.573526135192

  Kinetic energy FISQ                (au) =         114.089176028315
  Standard error                        +/-           0.743794183934

  Potential energy                   (au) =        -272.681448576571
  Standard error                        +/-           0.873864945539

  e-e interaction                    (au) =          78.519500309819
  Standard error                        +/-           0.114238002655

  e-n interaction                    (au) =        -351.200948886391
  Standard error                        +/-           0.932297816395

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.082475666121
  Standard error                        +/-           0.227773865385

  Maximum distance from origin       (au) =           9.394747576273

  Particles affected per move       (%) :  99.9819


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.8980
 Acceptance ratio #2 <level 1>        (%)  =  51.5575
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1667
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7180
 Diffusion constant #1           (Bohr^2)  = 1.1045E-02
 Diffusion constant #2           (Bohr^2)  = 8.7084E-03
 Correlation time                 (steps)  = 3.7383E+00 +- 5.6263E-01
 Efficiency                  (au^-2 s^-1)  = 1.1640E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.830498603047
  Standard error                        +/-           0.021729998792

  Kinetic energy KEI (used in Total) (au) =         123.889180185224
  Standard error                        +/-           1.132646176663

  Kinetic energy TI                  (au) =         118.776923230930
  Standard error                        +/-           0.692456988022

  Kinetic energy FISQ                (au) =         113.664666276636
  Standard error                        +/-           0.907710907398

  Potential energy                   (au) =        -279.611265270112
  Standard error                        +/-           1.133136888343

  e-e interaction                    (au) =          78.248307527161
  Standard error                        +/-           0.102906084752

  e-n interaction                    (au) =        -357.859572797273
  Standard error                        +/-           1.147993576904

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.301883035095
  Standard error                        +/-           0.285049985539

  Maximum distance from origin       (au) =           9.279960542496

  Particles affected per move       (%) :  99.9921


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.8920
 Acceptance ratio #2 <level 1>        (%)  =  51.9981
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1408
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2571
 Diffusion constant #1           (Bohr^2)  = 1.0882E-02
 Diffusion constant #2           (Bohr^2)  = 9.5799E-03
 Correlation time                 (steps)  = 3.2574E+00 +- 3.7185E-01
 Efficiency                  (au^-2 s^-1)  = 1.3202E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.843711041177
  Standard error                        +/-           0.018728183495

  Kinetic energy KEI (used in Total) (au) =         104.368818413686
  Standard error                        +/-           0.757559965681

  Kinetic energy TI                  (au) =         109.512605051697
  Standard error                        +/-           0.653600277389

  Kinetic energy FISQ                (au) =         114.656391689707
  Standard error                        +/-           1.034991003804

  Potential energy                   (au) =        -260.104115936704
  Standard error                        +/-           0.758832501651

  e-e interaction                    (au) =          77.326331880072
  Standard error                        +/-           0.108366006584

  e-n interaction                    (au) =        -337.430447816776
  Standard error                        +/-           0.787685155980

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.940874825890
  Standard error                        +/-           0.237694051757

  Maximum distance from origin       (au) =           8.141544465026

  Particles affected per move       (%) :  99.9992


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.7362
 Acceptance ratio #2 <level 1>        (%)  =  51.7210
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9331
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9351
 Diffusion constant #1           (Bohr^2)  = 1.0871E-02
 Diffusion constant #2           (Bohr^2)  = 8.8596E-03
 Correlation time                 (steps)  = 4.0328E+00 +- 5.4544E-01
 Efficiency                  (au^-2 s^-1)  = 1.2106E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.816910967533
  Standard error                        +/-           0.018768641871

  Kinetic energy KEI (used in Total) (au) =         112.903192321859
  Standard error                        +/-           0.829610165721

  Kinetic energy TI                  (au) =         113.072044077234
  Standard error                        +/-           0.524124517460

  Kinetic energy FISQ                (au) =         113.240895832609
  Standard error                        +/-           0.749415608414

  Potential energy                   (au) =        -268.611689771233
  Standard error                        +/-           0.830934385118

  e-e interaction                    (au) =          77.772544851288
  Standard error                        +/-           0.105025463335

  e-n interaction                    (au) =        -346.384234622521
  Standard error                        +/-           0.855017916485

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.051499151612
  Standard error                        +/-           0.195478577101

  Maximum distance from origin       (au) =           8.500718922770

  Particles affected per move       (%) :  99.9973


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.9988
 Acceptance ratio #2 <level 1>        (%)  =  51.6985
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2486
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0100
 Diffusion constant #1           (Bohr^2)  = 1.1444E-02
 Diffusion constant #2           (Bohr^2)  = 9.1718E-03
 Correlation time                 (steps)  = 5.4440E+00 +- 1.9223E+00
 Efficiency                  (au^-2 s^-1)  = 9.0111E+01
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.841672029542
  Standard error                        +/-           0.018694679738

  Kinetic energy KEI (used in Total) (au) =         113.287892348913
  Standard error                        +/-           1.351975608985

  Kinetic energy TI                  (au) =         113.442662615244
  Standard error                        +/-           0.764064452659

  Kinetic energy FISQ                (au) =         113.597432881575
  Standard error                        +/-           0.705155551609

  Potential energy                   (au) =        -269.021150860296
  Standard error                        +/-           1.347847184276

  e-e interaction                    (au) =          77.627102027475
  Standard error                        +/-           0.105677401835

  e-n interaction                    (au) =        -346.648252887771
  Standard error                        +/-           1.372031551403

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.701449461061
  Standard error                        +/-           0.146724020119

  Maximum distance from origin       (au) =           7.004002451770

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.7192
 Acceptance ratio #2 <level 1>        (%)  =  51.6499
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9241
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8153
 Diffusion constant #1           (Bohr^2)  = 1.0917E-02
 Diffusion constant #2           (Bohr^2)  = 9.0817E-03
 Correlation time                 (steps)  = 4.1490E+00 +- 5.4670E-01
 Efficiency                  (au^-2 s^-1)  = 1.0644E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.699888886681
  Standard error                        +/-           0.022406366676

  Kinetic energy KEI (used in Total) (au) =         122.080006278133
  Standard error                        +/-           1.797003110749

  Kinetic energy TI                  (au) =         119.471806891590
  Standard error                        +/-           2.155358549795

  Kinetic energy FISQ                (au) =         116.863607505046
  Standard error                        +/-           3.977278758035

  Potential energy                   (au) =        -277.671481646655
  Standard error                        +/-           1.795319785954

  e-e interaction                    (au) =          78.441621729382
  Standard error                        +/-           0.100303902179

  e-n interaction                    (au) =        -356.113103376037
  Standard error                        +/-           1.832775419816

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.267927476237
  Standard error                        +/-           0.175344619655

  Maximum distance from origin       (au) =           7.000055261412

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.9229
 Acceptance ratio #2 <level 1>        (%)  =  51.5750
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1777
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7741
 Diffusion constant #1           (Bohr^2)  = 1.1228E-02
 Diffusion constant #2           (Bohr^2)  = 9.1936E-03
 Correlation time                 (steps)  = 3.0546E+00 +- 3.2845E-01
 Efficiency                  (au^-2 s^-1)  = 1.2372E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.821792580266
  Standard error                        +/-           0.022513378294

  Kinetic energy KEI (used in Total) (au) =         117.542550454090
  Standard error                        +/-           1.485419411163

  Kinetic energy TI                  (au) =         115.445006779132
  Standard error                        +/-           0.791322262248

  Kinetic energy FISQ                (au) =         113.347463104174
  Standard error                        +/-           0.566435685054

  Potential energy                   (au) =        -273.255929516197
  Standard error                        +/-           1.481934000860

  e-e interaction                    (au) =          78.248273464421
  Standard error                        +/-           0.089319433300

  e-n interaction                    (au) =        -351.504202980618
  Standard error                        +/-           1.512675397359

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.650402834221
  Standard error                        +/-           0.423593924422

  Maximum distance from origin       (au) =           6.932142555506

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.8490
 Acceptance ratio #2 <level 1>        (%)  =  51.7460
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1008
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9314
 Diffusion constant #1           (Bohr^2)  = 1.0532E-02
 Diffusion constant #2           (Bohr^2)  = 8.9481E-03
 Correlation time                 (steps)  = 3.0775E+00 +- 3.0438E-01
 Efficiency                  (au^-2 s^-1)  = 1.5756E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.843555539001
  Standard error                        +/-           0.018735625515

  Kinetic energy KEI (used in Total) (au) =         113.040563496956
  Standard error                        +/-           0.883424361399

  Kinetic energy TI                  (au) =         112.669573063956
  Standard error                        +/-           0.475610888425

  Kinetic energy FISQ                (au) =         112.298582630955
  Standard error                        +/-           0.367612443473

  Potential energy                   (au) =        -268.775705517797
  Standard error                        +/-           0.881272420440

  e-e interaction                    (au) =          78.061916354786
  Standard error                        +/-           0.102106155926

  e-n interaction                    (au) =        -346.837621872583
  Standard error                        +/-           0.907164486152

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.721320167739
  Standard error                        +/-           0.133104152540

  Maximum distance from origin       (au) =           7.748504722526

  Particles affected per move       (%) :  99.9990


 Time taken in block    : : :        6.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.814307120842 +/- 0.006354412480      No correction
 -113.814307120842 +/- 0.012189433114      Correlation time method
 -113.814307120842 +/- 0.012601781494      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.814307120842 +/-       0.012601781494
    stderr:      0.012601781494 +/-       0.001287421800
    errfac:      1.972555403829 +/-       0.201519985912
    N_corr:      3.890974821176 +/-       0.795018674381
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   6.388556E-03   8.075789E-05
            2   7.409636E-03   1.324840E-04
            4   8.436395E-03   2.133916E-04
            8   9.629895E-03   3.446951E-04
           16   1.058533E-02   5.365252E-04
           32   1.197020E-02   8.602423E-04
           64   1.260178E-02   1.287422E-03  *** BEST ***
          128   1.323377E-02   1.932272E-03
          256   1.577380E-02   3.328879E-03
          512   1.927495E-02   6.027377E-03
         1024   1.697190E-02   8.368279E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 2.080177742092 +- 0.115175304714

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 13
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  6.23983345E-01     3.30249387E-02    -1.54657124E+00     2.56670214E-01
     1.83391597E+01    -2.93125780E+01    -4.16169247E+01     1.26727347E+02
    -7.73196334E+01     1.85967137E+00     2.86836226E-03    -2.10811638E-02
     5.56237176E-02    -8.55126156E-02     1.05281769E-01    -1.00546568E-01
     5.72875663E-02    -1.51738485E-02     1.15380239E-03 Bm  2.21214199E+00
    -2.80894250E-01     3.01410913E-01    -1.21609108E-01     2.95482623E-02
    -4.71398585E-03    -3.44439338E-01     3.59333261E-01     3.43809594E-02
    -2.05252774E-01     6.93927675E-02 BP  6.32106853E+00     4.22477044E-05
    -1.62403144E-05    -7.72738589E-05     2.93857558E-05     8.19960495E-06
    -3.03350731E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79023001E+00     5.15368499E-03    -1.83416578E-03     3.66990224E-03
    -3.25179777E-03     1.19381748E-03     8.25586398E-06    -9.48832315E-05
     1.56140589E-05     9.05295693E-03     2.99451878E-03    -1.07696724E-02
     1.55304211E-02    -1.21966473E-02     5.14195856E-03    -1.08209525E-03
     8.93236120E-05 JX  3.49693544E+00    -2.44404579E-02    -1.05405959E-03
     3.22687667E-02    -3.80300504E-02     1.80410211E-02    -2.94562766E-03
 Jf  3.14206828E+00    -3.90206888E-05     6.20714118E-04    -1.83576737E-04
    -2.69617398E-03     3.55766661E-04    -1.68219598E-05    -1.50042009E-03
     1.63718842E-03    -1.36596834E-04    -1.06227864E-04     2.54572100E-05
    -3.63241996E-05    -4.03859624E-04     3.39724540E-04    -2.01333949E-03
     4.87677235E-04    -2.16567259E-04    -6.80379207E-05     3.43228308E-04
    -3.31531915E-04    -1.41563914E-04     5.18815729E-05    -3.32091457E-05
     6.31540204E-04    -2.01450117E-04     8.31589863E-05     1.91800106E-05
    -2.69380153E-03     2.14635141E-03     3.22884293E-03    -2.10983978E-03
     8.10107855E-04     2.76607632E-03     2.24057028E-03    -7.26475241E-04
    -5.93096333E-05     1.32770641E-03    -1.16897703E-03    -9.99534158E-04
     7.91083503E-04    -6.72373041E-04     1.97639417E-04    -1.74411498E-04
     9.69525982E-04    -1.16626181E-03     2.67602157E-04     2.43951905E-03
    -8.93269608E-04     1.18227771E-05     6.58202828E-04    -1.29164300E-04
     5.46603709E-05

    Unreweighted variance of energy (a.u.)  :   2.129649E+00
           Unreweighted mean energy (a.u.)  :  -1.138239E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  8.22706519E-01     1.18253380E-03    -3.77458663E-01    -4.54022349E-01
     8.04716267E+00    -1.08038645E+01    -1.55220573E+01     3.86902302E+01
    -1.97366500E+01     1.84237662E+00     8.56095725E-04    -5.35039804E-03
     1.86503133E-02    -5.40099067E-02     1.02413705E-01    -1.10143418E-01
     6.32471022E-02    -1.72111539E-02     1.53860759E-03 Bm  2.19731984E+00
    -9.24010648E-02    -1.37544001E-01     2.75180021E-01    -1.49466264E-01
     2.76115491E-02    -6.09512895E-02    -2.62621493E-01     4.53500882E-01
    -2.23041158E-01     3.32509597E-02 BP  6.56233013E+00     3.87100262E-05
    -1.49919921E-05    -6.02890232E-05     2.35338509E-05     3.56842456E-06
    -1.45075156E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.79749782E+00     5.75792649E-03    -1.55563777E-03     4.10130852E-03
    -6.87348848E-03     4.89540240E-03    -1.72659136E-03     3.10626726E-04
    -2.35242764E-05     8.53468350E-03     3.87960725E-03    -1.10008054E-02
     1.42952451E-02    -1.04720797E-02     4.34161374E-03    -9.32549242E-04
     8.06802712E-05 JX  3.49291872E+00    -2.54234835E-02     3.65509463E-03
     2.45499024E-02    -3.22249643E-02     1.48990692E-02    -2.28363469E-03
 Jf  3.12195336E+00    -3.83686771E-05     3.21972962E-04    -1.44848119E-04
    -1.57815700E-03     1.22483256E-04     4.25694379E-05    -5.96901080E-04
     6.01695814E-04    -1.14934383E-04    -2.12120030E-04     1.99266607E-04
    -2.23358340E-04    -1.01858569E-03     3.58026584E-04     1.92437148E-04
    -3.37493793E-05    -4.70862634E-05    -7.75289039E-06     1.66477538E-04
    -1.80256863E-04     4.54578013E-04    -8.65156932E-05    -2.61560463E-05
     1.57706607E-04    -3.70736752E-05     2.23804824E-05    -4.68203550E-05
    -2.79987764E-03     2.30654106E-03     3.19991582E-03    -2.16228602E-03
     7.62335008E-04     3.32391076E-03     2.63114439E-03    -6.72810587E-04
    -1.66106944E-04     1.59189678E-03    -1.57829008E-03    -8.20407631E-04
     8.00745386E-04    -1.13356321E-03     3.66168088E-04    -2.33974844E-04
     1.02936602E-03    -1.26426934E-03     2.70106888E-04     2.73121535E-03
    -9.71737410E-04     1.60532704E-05     6.60164727E-04    -1.38099020E-04
     5.98044383E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   2.129649E+00 ->   1.863431E+00
           Unreweighted mean energy (a.u.)  :  -1.138239E+02 ->  -1.138374E+02


 Writing parameters to correlation.out.13.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 3
 NL2SOL iteration     : 2

 Current parameters:
 Be  8.24382051E-01     3.84390241E-03     2.20684060E-01    -2.70326077E+00
     8.30081190E+00    -6.20109696E+00    -1.24453905E+01     2.42168670E+01
    -1.16474572E+01     1.73962298E+00     6.80836206E-04    -2.79554844E-03
     9.00183806E-03    -4.46950751E-02     1.18073874E-01    -1.49815149E-01
     9.29099080E-02    -2.52551753E-02     1.87225986E-03 Bm  2.24423733E+00
    -7.25821580E-02    -1.92917645E-01     3.56601591E-01    -1.99675722E-01
     3.83918453E-02    -4.08968875E-02    -3.19058842E-01     5.36849725E-01
    -2.78957776E-01     4.65268697E-02 BP  8.30679243E+00     1.57436427E-05
    -6.32331430E-06    -2.19354858E-05     8.55755169E-06     1.92526280E-07
    -1.44990138E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70284294E+00     6.22896753E-03    -2.89460718E-03     7.75213528E-03
    -1.14087530E-02     7.81836436E-03    -2.75310226E-03     4.99708750E-04
    -3.78869671E-05     9.14658611E-03     4.19174943E-03    -1.15777458E-02
     1.47807665E-02    -1.07452315E-02     4.44513126E-03    -9.56226974E-04
     8.32886077E-05 JX  3.50152606E+00    -2.50953379E-02     3.69112569E-03
     2.33955739E-02    -3.09848483E-02     1.43899654E-02    -2.20257614E-03
 Jf  3.16093735E+00    -2.59926696E-05     3.63923606E-04    -3.36741870E-04
    -1.35295207E-03     2.26386012E-04    -1.88104210E-05    -6.70227732E-04
    -4.50449273E-05    -1.58950441E-04    -2.12875166E-04     2.40087416E-04
     2.69468194E-04    -1.56628306E-03     3.55315937E-04     1.26277136E-03
    -2.77472193E-04     3.85745766E-05     1.10496897E-04    -2.79296380E-05
    -8.19581019E-05     5.79108811E-04    -2.07460756E-05    -3.95194190E-05
    -1.19849836E-04     4.67951780E-05    -8.00253757E-06    -4.59028678E-05
    -2.57190669E-03     2.13646301E-03     2.91138870E-03    -2.00256312E-03
     7.16865693E-04     3.06504527E-03     2.49332252E-03    -6.10731900E-04
    -1.44972423E-04     1.45335722E-03    -1.48389377E-03    -6.69138587E-04
     7.25294558E-04    -1.16661065E-03     3.69320249E-04    -2.29616357E-04
     9.34127597E-04    -1.15313649E-03     2.49734026E-04     2.47006668E-03
    -8.79863663E-04     1.34142203E-05     6.00603594E-04    -1.26742420E-04
     5.58853324E-05

 Rejected step:
 Variance  :   1.863431E+00 ->   8.060708E+00
 Energy    :  -1.138374E+02 ->  -1.138374E+02

 Current parameters:
 Be  8.34415491E-01     9.85028459E-03    -3.30316047E-01    -7.37689309E-01
     7.38281932E+00    -9.69067519E+00    -1.32352926E+01     3.56887826E+01
    -1.96880534E+01     1.74346238E+00     9.14116490E-04    -5.73769367E-03
     2.07737461E-02    -6.35269167E-02     1.27629164E-01    -1.45274462E-01
     8.80610519E-02    -2.52691634E-02     2.40929688E-03 Bm  2.24012270E+00
    -9.41186586E-02    -1.25874807E-01     2.69325638E-01    -1.51527918E-01
     2.91197327E-02    -6.50285600E-02    -2.41865071E-01     4.33861009E-01
    -2.21001106E-01     3.52496016E-02 BP  6.60208141E+00     3.78588412E-05
    -1.46622355E-05    -5.88590908E-05     2.28716594E-05     3.48139578E-06
    -1.37092783E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.73137201E+00     6.11269064E-03    -1.66424946E-03     4.17371094E-03
    -6.96142299E-03     4.92826660E-03    -1.72258805E-03     3.08506878E-04
    -2.34416244E-05     8.96392481E-03     3.99515036E-03    -1.11672518E-02
     1.43754499E-02    -1.04823481E-02     4.33543892E-03    -9.30300008E-04
     8.06341496E-05 JX  3.49958738E+00    -2.52559923E-02     3.70788603E-03
     2.38927559E-02    -3.18586237E-02     1.48437653E-02    -2.28058170E-03
 Jf  3.13211555E+00    -2.96403131E-05     3.25840150E-04    -1.47160597E-04
    -1.52622550E-03     1.18147375E-04     3.69461143E-05    -5.91525416E-04
     5.84433311E-04    -1.15795484E-04    -2.12710602E-04     1.91816832E-04
    -2.20362817E-04    -1.01638839E-03     3.58745458E-04     1.97025259E-04
    -3.36395655E-05    -4.69720568E-05    -6.60340048E-06     1.59505808E-04
    -1.69724131E-04     4.61446057E-04    -8.77970227E-05    -2.70732475E-05
     1.54098023E-04    -3.61445720E-05     2.22171359E-05    -4.99186102E-05
    -2.77076383E-03     2.29614699E-03     3.17893091E-03    -2.16588893E-03
     7.66463048E-04     3.29127391E-03     2.63918831E-03    -6.58498782E-04
    -1.59329738E-04     1.59116810E-03    -1.57549175E-03    -8.24296345E-04
     8.04255750E-04    -1.13671206E-03     3.69157942E-04    -2.37557232E-04
     1.01617767E-03    -1.26165217E-03     2.69556670E-04     2.73186095E-03
    -9.71246694E-04     1.52068945E-05     6.56763496E-04    -1.36962147E-04
     5.97852804E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.863431E+00 ->   1.673757E+00
           Unreweighted mean energy (a.u.)  :  -1.138374E+02 ->  -1.138360E+02


 Writing parameters to correlation.out.13.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 3

 Current parameters:
 Be  8.73090989E-01     7.17820375E-03    -1.68838920E-01    -9.10429137E-01
     5.98872164E+00    -7.40967121E+00    -9.49532226E+00     2.60206669E+01
    -1.45920806E+01     1.70085077E+00     9.15096221E-04    -5.68239357E-03
     2.09542662E-02    -6.74082676E-02     1.40988305E-01    -1.64894789E-01
     1.02009054E-01    -2.98773433E-02     2.95409546E-03 Bm  2.24574179E+00
    -8.50003741E-02    -1.42142206E-01     2.74072930E-01    -1.43499708E-01
     2.50974683E-02    -5.57933024E-02    -2.53229333E-01     4.44220506E-01
    -2.25299518E-01     3.61306964E-02 BP  6.64077117E+00     3.69588789E-05
    -1.43141447E-05    -5.75425465E-05     2.23263420E-05     3.30052939E-06
    -1.28770069E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.68567054E+00     6.26002845E-03    -1.83195950E-03     4.64234259E-03
    -7.30556101E-03     4.99669438E-03    -1.71047900E-03     3.04238503E-04
    -2.33372916E-05     9.30067752E-03     4.08482115E-03    -1.13077815E-02
     1.44426293E-02    -1.05001823E-02     4.35417602E-03    -9.41686254E-04
     8.28695600E-05 JX  3.49413922E+00    -2.51642242E-02     3.73676341E-03
     2.36555941E-02    -3.15525517E-02     1.47026839E-02    -2.25822598E-03
 Jf  3.12573370E+00    -3.24415384E-05     3.03610643E-04    -1.41865883E-04
    -1.47964176E-03     8.81318663E-05     5.74474246E-05    -5.96814091E-04
     5.76412501E-04    -1.27485433E-04    -2.04122411E-04     1.90887918E-04
    -1.96340372E-04    -1.02563535E-03     3.58121337E-04     2.16728108E-04
    -3.66879818E-05    -4.77495796E-05     7.14673832E-07     1.56057501E-04
    -1.69928193E-04     4.54821826E-04    -8.81157870E-05    -2.63877850E-05
     1.51026649E-04    -3.47709711E-05     2.17158278E-05    -5.11380341E-05
    -2.77989747E-03     2.30296743E-03     3.17313372E-03    -2.16696111E-03
     7.64461264E-04     3.30865668E-03     2.66137048E-03    -6.65719499E-04
    -1.64473426E-04     1.58731428E-03    -1.57788747E-03    -8.18213024E-04
     8.06957677E-04    -1.14813806E-03     3.70805632E-04    -2.37299038E-04
     1.02662257E-03    -1.26563054E-03     2.72155116E-04     2.73500763E-03
    -9.71177946E-04     1.44971490E-05     6.50231892E-04    -1.34203083E-04
     5.85211144E-05

 Rejected step:
 Variance  :   1.673757E+00 ->   1.674926E+00
 Energy    :  -1.138360E+02 ->  -1.138357E+02

 Current parameters:
 Be  8.64121512E-01     8.76283730E-03    -2.51326083E-01    -7.77839326E-01
     6.31616482E+00    -8.01011511E+00    -1.03636168E+01     2.81420071E+01
    -1.56275809E+01     1.70459583E+00     9.43734105E-04    -5.91977080E-03
     2.15596938E-02    -6.76298465E-02     1.39719781E-01    -1.62787119E-01
     1.00702169E-01    -2.95742013E-02     2.94712169E-03 Bm  2.24521263E+00
    -8.63641357E-02    -1.41103457E-01     2.75633132E-01    -1.45436603E-01
     2.56192617E-02    -5.85332115E-02    -2.45635434E-01     4.34936885E-01
    -2.20282291E-01     3.51744974E-02 BP  6.61091242E+00     3.76413513E-05
    -1.45800365E-05    -5.85784423E-05     2.27442354E-05     3.44293511E-06
    -1.34751795E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69400800E+00     6.23883240E-03    -1.75451891E-03     4.42047526E-03
    -7.11294732E-03     4.93764321E-03    -1.71255096E-03     3.08740046E-04
    -2.39888027E-05     9.23723986E-03     4.06178360E-03    -1.12666791E-02
     1.44161210E-02    -1.04762262E-02     4.33541923E-03    -9.34819956E-04
     8.19495605E-05 JX  3.49431818E+00    -2.51704330E-02     3.72735745E-03
     2.38155553E-02    -3.17632924E-02     1.48008791E-02    -2.27408820E-03
 Jf  3.12717352E+00    -3.15451222E-05     3.10526719E-04    -1.45075832E-04
    -1.50981561E-03     1.02361269E-04     5.01371419E-05    -5.94250144E-04
     5.85328682E-04    -1.23089596E-04    -2.07920446E-04     1.95146531E-04
    -2.12219892E-04    -1.01932934E-03     3.58436483E-04     2.00396320E-04
    -3.46177685E-05    -4.76516272E-05    -3.69543591E-06     1.60670022E-04
    -1.73104895E-04     4.55831283E-04    -8.81005979E-05    -2.65825134E-05
     1.54216242E-04    -3.54586192E-05     2.18467541E-05    -5.12270807E-05
    -2.77405022E-03     2.29572060E-03     3.17358083E-03    -2.16574793E-03
     7.65623720E-04     3.29927724E-03     2.64661504E-03    -6.63802819E-04
    -1.63893701E-04     1.58940139E-03    -1.57549358E-03    -8.22656747E-04
     8.05188593E-04    -1.14049116E-03     3.70558871E-04    -2.37838694E-04
     1.02306559E-03    -1.26178408E-03     2.68414288E-04     2.73266654E-03
    -9.71525662E-04     1.51293496E-05     6.54309182E-04    -1.35898087E-04
     5.92348171E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.673757E+00 ->   1.666750E+00
           Unreweighted mean energy (a.u.)  :  -1.138360E+02 ->  -1.138355E+02


 Writing parameters to correlation.out.13.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 7
 NL2SOL iteration     : 4

 Current parameters:
 Be  8.69152293E-01     7.40586648E-03    -1.70817037E-01    -9.95203035E-01
     6.24396487E+00    -7.31799947E+00    -1.00556752E+01     2.57890245E+01
    -1.39426989E+01     1.66239333E+00     8.95230723E-04    -5.40371435E-03
     2.08416658E-02    -7.16963789E-02     1.55207109E-01    -1.84863045E-01
     1.16503845E-01    -3.54292056E-02     3.90447632E-03 Bm  2.30987333E+00
    -9.00815571E-02    -1.26742382E-01     2.55429358E-01    -1.33032287E-01
     2.30005276E-02    -6.14298524E-02    -2.42840659E-01     4.40824972E-01
    -2.29677419E-01     3.79368081E-02 BP  6.65001544E+00     3.67241652E-05
    -1.42490028E-05    -5.70632394E-05     2.22538282E-05     3.21450072E-06
    -1.28297446E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.66538185E+00     6.44745237E-03    -1.84631271E-03     4.67039898E-03
    -7.39865349E-03     5.03982916E-03    -1.71632094E-03     3.05260891E-04
    -2.36076978E-05     9.51400479E-03     4.10113127E-03    -1.13584878E-02
     1.44256183E-02    -1.05001183E-02     4.38449261E-03    -9.59027491E-04
     8.57537666E-05 JX  3.49545905E+00    -2.53106403E-02     3.78503578E-03
     2.34911687E-02    -3.13655814E-02     1.46186948E-02    -2.24511957E-03
 Jf  3.13376349E+00    -2.84774869E-05     2.91755845E-04    -1.31868130E-04
    -1.41191932E-03     7.99924599E-05     4.98722370E-05    -5.72796687E-04
     5.54592130E-04    -1.25223705E-04    -2.00773851E-04     1.88085853E-04
    -1.92690070E-04    -1.02934381E-03     3.56813703E-04     2.32454110E-04
    -3.78581838E-05    -4.54810419E-05     2.01843071E-06     1.44220683E-04
    -1.57877319E-04     4.65667638E-04    -8.99692411E-05    -2.66094391E-05
     1.45862939E-04    -3.37835552E-05     2.12200167E-05    -4.70523109E-05
    -2.75503209E-03     2.29786420E-03     3.15331015E-03    -2.16091179E-03
     7.63739103E-04     3.27714315E-03     2.66180917E-03    -6.58254205E-04
    -1.63083305E-04     1.58139650E-03    -1.57312255E-03    -8.22839061E-04
     8.08372168E-04    -1.14700705E-03     3.70218685E-04    -2.37359739E-04
     1.01570197E-03    -1.26025246E-03     2.73532420E-04     2.73424326E-03
    -9.70616876E-04     1.41120524E-05     6.48836983E-04    -1.33794816E-04
     5.85166219E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.666750E+00 ->   1.667887E+00
           Unreweighted mean energy (a.u.)  :  -1.138355E+02 ->  -1.138356E+02


 Writing parameters to correlation.out.13.

 Current parameters:
 Be  8.69522861E-01     7.82570533E-03    -2.08199979E-01    -8.63934657E-01
     6.18598746E+00    -7.57292447E+00    -1.00139451E+01     2.64041095E+01
    -1.44035642E+01     1.68584761E+00     9.22487388E-04    -5.65663574E-03
     2.11738663E-02    -6.93564703E-02     1.46411454E-01    -1.72193124E-01
     1.07338173E-01    -3.20539886E-02     3.37628887E-03 Bm  2.30744603E+00
    -9.21802162E-02    -1.21738685E-01     2.50105893E-01    -1.30395063E-01
     2.25150976E-02    -6.64737037E-02    -2.25083602E-01     4.16123497E-01
    -2.15642270E-01     3.52139934E-02 BP  6.61411539E+00     3.74989306E-05
    -1.45474687E-05    -5.83919030E-05     2.27658580E-05     3.36686076E-06
    -1.34122399E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.66841460E+00     6.43074396E-03    -1.79056271E-03     4.53249040E-03
    -7.26913307E-03     4.98635887E-03    -1.70877841E-03     3.06250509E-04
    -2.39055340E-05     9.49070380E-03     4.09805245E-03    -1.13659713E-02
     1.44248367E-02    -1.04694919E-02     4.35399884E-03    -9.47958305E-04
     8.43509787E-05 JX  3.49434534E+00    -2.53330174E-02     3.80624466E-03
     2.35674635E-02    -3.15131856E-02     1.46960367E-02    -2.25780025E-03
 Jf  3.13289993E+00    -2.86146605E-05     2.99522949E-04    -1.37357886E-04
    -1.44042536E-03     9.01561186E-05     4.63667068E-05    -5.78604101E-04
     5.63631566E-04    -1.22688353E-04    -2.02703244E-04     1.86782398E-04
    -2.04233884E-04    -1.02221601E-03     3.57543253E-04     2.14660608E-04
    -3.56157981E-05    -4.59512290E-05    -3.39231097E-06     1.52900050E-04
    -1.62340212E-04     4.59513062E-04    -8.93077461E-05    -2.67531915E-05
     1.50792940E-04    -3.48793898E-05     2.15188613E-05    -4.71292534E-05
    -2.76008716E-03     2.29732822E-03     3.16448452E-03    -2.16346813E-03
     7.64246659E-04     3.28384863E-03     2.65441943E-03    -6.59138558E-04
    -1.64633148E-04     1.58572005E-03    -1.57605107E-03    -8.24896774E-04
     8.06991717E-04    -1.14505333E-03     3.71386509E-04    -2.37840976E-04
     1.01687591E-03    -1.26007186E-03     2.71834794E-04     2.73610639E-03
    -9.71313508E-04     1.45457892E-05     6.50829785E-04    -1.34794325E-04
     5.89065316E-05

 Rejected step:
 Variance  :   1.667887E+00 ->   1.669326E+00
 Energy    :  -1.138356E+02 ->  -1.138356E+02

 Current parameters:
 Be  8.69701084E-01     8.06620291E-03    -2.27062870E-01    -8.00669551E-01
     6.16040095E+00    -7.69363442E+00    -9.99714136E+00     2.66914896E+01
    -1.46165581E+01     1.70069750E+00     9.37886820E-04    -5.79503688E-03
     2.13142479E-02    -6.78697301E-02     1.41150829E-01    -1.64732912E-01
     1.01975564E-01    -3.00927219E-02     3.07471233E-03 Bm  2.30522596E+00
    -9.31465011E-02    -1.20020746E-01     2.48373524E-01    -1.29448856E-01
     2.23162372E-02    -6.95728650E-02    -2.13813281E-01     3.99483854E-01
    -2.05728237E-01     3.32239470E-02 BP  6.60050601E+00     3.78028639E-05
    -1.46627095E-05    -5.89121484E-05     2.29585495E-05     3.43100118E-06
    -1.36389640E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67218407E+00     6.40852671E-03    -1.76304267E-03     4.45488553E-03
    -7.19245454E-03     4.95843523E-03    -1.70793931E-03     3.07955718E-04
    -2.42008326E-05     9.46033962E-03     4.08616966E-03    -1.13586421E-02
     1.44313836E-02    -1.04637608E-02     4.34059049E-03    -9.41754801E-04
     8.34493922E-05 JX  3.49347416E+00    -2.53512151E-02     3.79693816E-03
     2.36604752E-02    -3.16342987E-02     1.47524944E-02    -2.26658484E-03
 Jf  3.13193912E+00    -2.89572268E-05     3.05713820E-04    -1.41742651E-04
    -1.46510011E-03     9.82639081E-05     4.41100943E-05    -5.83230019E-04
     5.69077608E-04    -1.21347718E-04    -2.05168405E-04     1.88448230E-04
    -2.10307487E-04    -1.02051044E-03     3.58072731E-04     2.06230749E-04
    -3.47021899E-05    -4.62377063E-05    -5.76671235E-06     1.57403496E-04
    -1.65509167E-04     4.57287210E-04    -8.87644813E-05    -2.68515927E-05
     1.52994431E-04    -3.53388167E-05     2.16648325E-05    -4.73300718E-05
    -2.76467199E-03     2.29717213E-03     3.17257577E-03    -2.16454171E-03
     7.64044130E-04     3.28935511E-03     2.64917438E-03    -6.60627137E-04
    -1.65504905E-04     1.58756651E-03    -1.57597952E-03    -8.25086148E-04
     8.05921017E-04    -1.14338199E-03     3.71444497E-04    -2.37646834E-04
     1.01891316E-03    -1.26061667E-03     2.71145473E-04     2.73589193E-03
    -9.71577398E-04     1.48368653E-05     6.52319367E-04    -1.35419991E-04
     5.90917258E-05

 Rejected step:
 Variance  :   1.667887E+00 ->   1.669921E+00
 Energy    :  -1.138356E+02 ->  -1.138354E+02

 Current parameters:
 Be  8.69882318E-01     8.28673777E-03    -2.38174449E-01    -7.69018029E-01
     6.14795257E+00    -7.74600153E+00    -9.98336840E+00     2.68070914E+01
    -1.47086328E+01     1.71017487E+00     9.44919850E-04    -5.85924744E-03
     2.13468866E-02    -6.69149399E-02     1.37928282E-01    -1.60180350E-01
     9.87116726E-02    -2.89125131E-02     2.89810962E-03 Bm  2.30167707E+00
    -9.24269987E-02    -1.22141928E-01     2.49674948E-01    -1.29463016E-01
     2.22102870E-02    -6.95134317E-02    -2.11575153E-01     3.92236560E-01
    -1.99782183E-01     3.18126288E-02 BP  6.59875979E+00     3.78592148E-05
    -1.46785946E-05    -5.89966048E-05     2.29669835E-05     3.45435629E-06
    -1.36687605E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.68058584E+00     6.35596311E-03    -1.76183164E-03     4.42665470E-03
    -7.14614423E-03     4.94220860E-03    -1.70901834E-03     3.09192850E-04
    -2.43515505E-05     9.38918309E-03     4.05803718E-03    -1.13204312E-02
     1.44295904E-02    -1.04684487E-02     4.33524107E-03    -9.37454216E-04
     8.26556461E-05 JX  3.49332287E+00    -2.53498161E-02     3.74353454E-03
     2.37711062E-02    -3.17210891E-02     1.47853457E-02    -2.27140742E-03
 Jf  3.13068186E+00    -2.96515838E-05     3.10812957E-04    -1.44280824E-04
    -1.48877325E-03     1.02648296E-04     4.51057600E-05    -5.89093207E-04
     5.75138135E-04    -1.21132127E-04    -2.07674483E-04     1.91821071E-04
    -2.13201337E-04    -1.01991386E-03     3.58344008E-04     2.01711581E-04
    -3.43718628E-05    -4.68029602E-05    -6.10710789E-06     1.59754440E-04
    -1.68458153E-04     4.56376887E-04    -8.83957207E-05    -2.68488612E-05
     1.53903452E-04    -3.54697973E-05     2.17817198E-05    -4.79082349E-05
    -2.76972599E-03     2.29708327E-03     3.17838928E-03    -2.16525636E-03
     7.64153906E-04     3.29520272E-03     2.64578284E-03    -6.62457587E-04
    -1.65848446E-04     1.58833931E-03    -1.57545466E-03    -8.24124652E-04
     8.05298007E-04    -1.14200031E-03     3.70948756E-04    -2.37367668E-04
     1.02143196E-03    -1.26133977E-03     2.70686855E-04     2.73442162E-03
    -9.71603331E-04     1.49975474E-05     6.53540233E-04    -1.35816339E-04
     5.92049501E-05

 Rejected step:
 Variance  :   1.667887E+00 ->   1.669239E+00
 Energy    :  -1.138356E+02 ->  -1.138354E+02

 Current parameters:
 Be  8.70332665E-01     8.57176558E-03    -2.43994503E-01    -7.60933500E-01
     6.13543283E+00    -7.73513121E+00    -9.94191151E+00     2.67548268E+01
    -1.47084103E+01     1.71539869E+00     9.45038734E-04    -5.85953704E-03
     2.12814386E-02    -6.63607759E-02     1.36224425E-01    -1.57738281E-01
     9.69495742E-02    -2.82923156E-02     2.81231565E-03 Bm  2.29544533E+00
    -8.96758080E-02    -1.27552871E-01     2.53279424E-01    -1.30432468E-01
     2.22784331E-02    -6.48692735E-02    -2.21157014E-01     3.96848193E-01
    -1.98812229E-01     3.11317646E-02 BP  6.60631546E+00     3.77252598E-05
    -1.46173030E-05    -5.87377113E-05     2.28266611E-05     3.44897260E-06
    -1.35470828E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69084206E+00     6.28379243E-03    -1.76800762E-03     4.42498376E-03
    -7.12337853E-03     4.93769248E-03    -1.71100923E-03     3.09155721E-04
    -2.42024590E-05     9.29129783E-03     4.03801915E-03    -1.12754126E-02
     1.44201677E-02    -1.04748700E-02     4.33502005E-03    -9.35338651E-04
     8.21444447E-05 JX  3.49489800E+00    -2.52838158E-02     3.69205305E-03
     2.38227430E-02    -3.17521657E-02     1.47969333E-02    -2.27321343E-03
 Jf  3.12952131E+00    -3.03476859E-05     3.11783668E-04    -1.44764058E-04
    -1.50264489E-03     1.02811090E-04     4.82182081E-05    -5.93758952E-04
     5.80681734E-04    -1.22095040E-04    -2.08526220E-04     1.94485010E-04
    -2.13143689E-04    -1.01947602E-03     3.58404508E-04     2.00339795E-04
    -3.45518363E-05    -4.74060699E-05    -4.84141858E-06     1.60462386E-04
    -1.71031897E-04     4.55759459E-04    -8.82156066E-05    -2.67330990E-05
     1.54135920E-04    -3.54547605E-05     2.18773959E-05    -4.90638159E-05
    -2.77252201E-03     2.29624475E-03     3.17767275E-03    -2.16533840E-03
     7.64921027E-04     3.29891904E-03     2.64521058E-03    -6.63114946E-04
    -1.65110799E-04     1.58910013E-03    -1.57585794E-03    -8.23043311E-04
     8.05227162E-04    -1.14107990E-03     3.70596645E-04    -2.37613564E-04
     1.02259285E-03    -1.26169333E-03     2.69919285E-04     2.73287408E-03
    -9.71558800E-04     1.50609546E-05     6.54040374E-04    -1.35909662E-04
     5.92759584E-05

 Rejected step:
 Variance  :   1.667887E+00 ->   1.670185E+00
 Energy    :  -1.138356E+02 ->  -1.138357E+02

 Current parameters:
 Be  8.70600154E-01     8.76272471E-03    -2.46832701E-01    -7.60559741E-01
     6.12928451E+00    -7.71881980E+00    -9.91289024E+00     2.67074330E+01
    -1.47073084E+01     1.71983629E+00     9.47396566E-04    -5.85584395E-03
     2.11770895E-02    -6.58548110E-02     1.34824949E-01    -1.55705929E-01
     9.54645078E-02    -2.77848030E-02     2.74955845E-03 Bm  2.28671458E+00
    -8.67010699E-02    -1.31920740E-01     2.56848218E-01    -1.32698740E-01
     2.28376657E-02    -6.00740205E-02    -2.30477976E-01     4.04155396E-01
    -2.01329368E-01     3.14700142E-02 BP  6.61027655E+00     3.76532346E-05
    -1.45850592E-05    -5.86001351E-05     2.27557492E-05     3.44388735E-06
    -1.34845964E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69346887E+00     6.24606006E-03    -1.75844744E-03     4.42164811E-03
    -7.11464370E-03     4.93769016E-03    -1.71220686E-03     3.08833687E-04
    -2.40408724E-05     9.24735104E-03     4.04872452E-03    -1.12652821E-02
     1.44169338E-02    -1.04764635E-02     4.33518859E-03    -9.34878682E-04
     8.20178804E-05 JX  3.49496098E+00    -2.52078906E-02     3.69628297E-03
     2.38164127E-02    -3.17603320E-02     1.48006731E-02    -2.27362589E-03
 Jf  3.12826083E+00    -3.05879108E-05     3.10858504E-04    -1.44990544E-04
    -1.50739705E-03     1.02628714E-04     4.97695576E-05    -5.94693118E-04
     5.84189928E-04    -1.22591637E-04    -2.08097800E-04     1.95100622E-04
    -2.12572770E-04    -1.01940344E-03     3.58438619E-04     2.00226793E-04
    -3.46382977E-05    -4.76160637E-05    -3.73066534E-06     1.60604682E-04
    -1.72631419E-04     4.55610963E-04    -8.81335958E-05    -2.66095850E-05
     1.54153109E-04    -3.54574598E-05     2.18760218E-05    -5.04060767E-05
    -2.77335969E-03     2.29582032E-03     3.17511961E-03    -2.16548973E-03
     7.65477986E-04     3.29969379E-03     2.64629977E-03    -6.63374071E-04
    -1.63922569E-04     1.58938942E-03    -1.57582598E-03    -8.22854336E-04
     8.05216642E-04    -1.14069438E-03     3.70543020E-04    -2.37804145E-04
     1.02299463E-03    -1.26180497E-03     2.69087914E-04     2.73232337E-03
    -9.71538155E-04     1.51291638E-05     6.54212994E-04    -1.35903689E-04
     5.92575525E-05

 Rejected step:
 Variance  :   1.667887E+00 ->   1.668949E+00
 Energy    :  -1.138356E+02 ->  -1.138360E+02

 Current parameters:
 Be  8.68502589E-01     8.76949703E-03    -2.48763001E-01    -7.66186290E-01
     6.18951791E+00    -7.81031486E+00    -1.00538444E+01     2.71642378E+01
    -1.50042511E+01     1.71746601E+00     9.47112600E-04    -5.87476708E-03
     2.12356467E-02    -6.61230048E-02     1.35577326E-01    -1.56778571E-01
     9.62590977E-02    -2.80560988E-02     2.77636047E-03 Bm  2.26421542E+00
    -8.53500678E-02    -1.37533802E-01     2.66519406E-01    -1.39455127E-01
     2.43301184E-02    -5.79595040E-02    -2.39523547E-01     4.20503622E-01
    -2.11202713E-01     3.34422212E-02 BP  6.61079843E+00     3.76435366E-05
    -1.45809425E-05    -5.85821860E-05     2.27463206E-05     3.44330109E-06
    -1.34762582E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69384462E+00     6.23812745E-03    -1.75510542E-03     4.42081175E-03
    -7.11277534E-03     4.93776489E-03    -1.71250210E-03     3.08746873E-04
    -2.39940116E-05     9.23668661E-03     4.06050762E-03    -1.12664404E-02
     1.44161774E-02    -1.04762734E-02     4.33540189E-03    -9.34809405E-04
     8.19662079E-05 JX  3.49430046E+00    -2.51729753E-02     3.72192012E-03
     2.38158397E-02    -3.17629938E-02     1.48008602E-02    -2.27409368E-03
 Jf  3.12716598E+00    -3.12479228E-05     3.10586514E-04    -1.45104456E-04
    -1.50935262E-03     1.02444947E-04     5.01350926E-05    -5.94328216E-04
     5.85481701E-04    -1.22814015E-04    -2.07854908E-04     1.95144253E-04
    -2.12282724E-04    -1.01934632E-03     3.58433380E-04     2.00417095E-04
    -3.46158884E-05    -4.76564020E-05    -3.61033017E-06     1.60653607E-04
    -1.73061230E-04     4.55772289E-04    -8.81043728E-05    -2.65838994E-05
     1.54216894E-04    -3.54586266E-05     2.18456738E-05    -5.12065443E-05
    -2.77387868E-03     2.29570778E-03     3.17393473E-03    -2.16569708E-03
     7.65594305E-04     3.29940704E-03     2.64677329E-03    -6.63821972E-04
    -1.63785541E-04     1.58941659E-03    -1.57553995E-03    -8.22691511E-04
     8.05188073E-04    -1.14049310E-03     3.70556152E-04    -2.37847497E-04
     1.02310786E-03    -1.26178529E-03     2.68504062E-04     2.73259283E-03
    -9.71528185E-04     1.51300975E-05     6.54301781E-04    -1.35899502E-04
     5.92328569E-05

 Rejected step:
 Variance  :   1.667887E+00 ->   1.668134E+00
 Energy    :  -1.138356E+02 ->  -1.138362E+02

 Current parameters:
 Be  8.66094352E-01     8.76374892E-03    -2.50176367E-01    -7.72539303E-01
     6.25882352E+00    -7.91919955E+00    -1.02224151E+01     2.76973242E+01
    -1.53428156E+01     1.70988210E+00     9.45014761E-04    -5.90136703E-03
     2.14258582E-02    -6.70051663E-02     1.37999701E-01    -1.60286136E-01
     9.88489466E-02    -2.89395837E-02     2.87553468E-03 Bm  2.25221523E+00
    -8.59752676E-02    -1.39894699E-01     2.72159649E-01    -1.43226904E-01
     2.51233847E-02    -5.81742025E-02    -2.43297041E-01     4.29587295E-01
    -2.16860074E-01     3.45344189E-02 BP  6.61070564E+00     3.76450451E-05
    -1.45817973E-05    -5.85855618E-05     2.27478755E-05     3.44354506E-06
    -1.34774241E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69399872E+00     6.23920955E-03    -1.75506266E-03     4.42051103E-03
    -7.11284033E-03     4.93772120E-03    -1.71251865E-03     3.08747768E-04
    -2.39887069E-05     9.23705114E-03     4.06167978E-03    -1.12665635E-02
     1.44161752E-02    -1.04762072E-02     4.33543309E-03    -9.34808977E-04
     8.19567140E-05 JX  3.49430752E+00    -2.51702934E-02     3.72660498E-03
     2.38158541E-02    -3.17631739E-02     1.48008983E-02    -2.27407800E-03
 Jf  3.12712442E+00    -3.14970526E-05     3.10530757E-04    -1.45089514E-04
    -1.50972686E-03     1.02374385E-04     5.01285367E-05    -5.94277570E-04
     5.85385227E-04    -1.22919385E-04    -2.07881351E-04     1.95143585E-04
    -2.12235847E-04    -1.01933257E-03     3.58434866E-04     2.00406950E-04
    -3.46161199E-05    -4.76521775E-05    -3.65827337E-06     1.60664292E-04
    -1.73101231E-04     4.55817854E-04    -8.81016555E-05    -2.65830634E-05
     1.54218665E-04    -3.54582212E-05     2.18465820E-05    -5.12380870E-05
    -2.77401874E-03     2.29571128E-03     3.17364913E-03    -2.16574381E-03
     7.65606592E-04     3.29929843E-03     2.64665858E-03    -6.63832204E-04
    -1.63881205E-04     1.58940016E-03    -1.57550690E-03    -8.22664670E-04
     8.05187544E-04    -1.14049173E-03     3.70557578E-04    -2.37842460E-04
     1.02306634E-03    -1.26178785E-03     2.68425706E-04     2.73265027E-03
    -9.71526720E-04     1.51291062E-05     6.54307183E-04    -1.35898714E-04
     5.92336609E-05

 Rejected step:
 Variance  :   1.667887E+00 ->   1.668255E+00
 Energy    :  -1.138356E+02 ->  -1.138357E+02

 Current parameters:
 Be  8.64755951E-01     8.76401525E-03    -2.50946043E-01    -7.76108201E-01
     6.29769528E+00    -7.98066704E+00    -1.03178395E+01     2.79982989E+01
    -1.55351238E+01     1.70605252E+00     9.44091220E-04    -5.91463839E-03
     2.15227636E-02    -6.74568554E-02     1.39243209E-01    -1.62093232E-01
     1.00187530E-01    -2.93977119E-02     2.92722556E-03 Bm  2.24736785E+00
    -8.62713850E-02    -1.40770401E-01     2.74536635E-01    -1.44762016E-01
     2.54611054E-02    -5.83805018E-02    -2.44880619E-01     4.33297618E-01
    -2.19214536E-01     3.49794874E-02 BP  6.61073823E+00     3.76444133E-05
    -1.45815395E-05    -5.85845025E-05     2.27472767E-05     3.44342949E-06
    -1.34771501E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69401863E+00     6.23915341E-03    -1.75465361E-03     4.42049026E-03
    -7.11290789E-03     4.93767206E-03    -1.71253830E-03     3.08743644E-04
    -2.39882973E-05     9.23722175E-03     4.06188209E-03    -1.12665833E-02
     1.44161704E-02    -1.04762033E-02     4.33543068E-03    -9.34814275E-04
     8.19522514E-05 JX  3.49430684E+00    -2.51701223E-02     3.72755194E-03
     2.38157582E-02    -3.17632248E-02     1.48008977E-02    -2.27408078E-03
 Jf  3.12715685E+00    -3.15447523E-05     3.10516836E-04    -1.45083149E-04
    -1.50981878E-03     1.02356780E-04     5.01274422E-05    -5.94266906E-04
     5.85334812E-04    -1.23022761E-04    -2.07908142E-04     1.95142682E-04
    -2.12226756E-04    -1.01933085E-03     3.58435708E-04     2.00396321E-04
    -3.46179264E-05    -4.76521018E-05    -3.68029692E-06     1.60667151E-04
    -1.73106002E-04     4.55828507E-04    -8.81011686E-05    -2.65827599E-05
     1.54216242E-04    -3.54586285E-05     2.18466720E-05    -5.12325586E-05
    -2.77405319E-03     2.29571427E-03     3.17357300E-03    -2.16575461E-03
     7.65612197E-04     3.29927227E-03     2.64661952E-03    -6.63814346E-04
    -1.63901955E-04     1.58939572E-03    -1.57550097E-03    -8.22661264E-04
     8.05187578E-04    -1.14049560E-03     3.70557485E-04    -2.37840559E-04
     1.02306112E-03    -1.26178801E-03     2.68411361E-04     2.73266077E-03
    -9.71526585E-04     1.51290111E-05     6.54307388E-04    -1.35898543E-04
     5.92342736E-05

 Rejected step:
 Variance  :   1.667887E+00 ->   1.668066E+00
 Energy    :  -1.138356E+02 ->  -1.138352E+02

 Current parameters:
 Be  8.64253595E-01     8.76333128E-03    -2.51244645E-01    -7.77474157E-01
     6.31232185E+00    -8.00396067E+00    -1.03540468E+01     2.81120484E+01
    -1.56082428E+01     1.70486133E+00     9.43800259E-04    -5.91882222E-03
     2.15529717E-02    -6.75982557E-02     1.39632787E-01    -1.62660369E-01
     1.00608156E-01    -2.95419326E-02     2.94349320E-03 Bm  2.24566774E+00
    -8.63479329E-02    -1.41037647E-01     2.75398695E-01    -1.45294963E-01
     2.55852692E-02    -5.84953737E-02    -2.45471616E-01     4.34592060E-01
    -2.20055391E-01     3.51336212E-02 BP  6.61085725E+00     3.76423167E-05
    -1.45805142E-05    -5.85803670E-05     2.27451964E-05     3.44308983E-06
    -1.34758109E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69401391E+00     6.23895027E-03    -1.75450451E-03     4.42049633E-03
    -7.11293186E-03     4.93765172E-03    -1.71254767E-03     3.08740881E-04
    -2.39887160E-05     9.23726376E-03     4.06184944E-03    -1.12666337E-02
     1.44161434E-02    -1.04762165E-02     4.33542324E-03    -9.34818397E-04
     8.19501584E-05 JX  3.49431070E+00    -2.51702556E-02     3.72753154E-03
     2.38156599E-02    -3.17632535E-02     1.48008926E-02    -2.27408351E-03
 Jf  3.12717151E+00    -3.15485367E-05     3.10520638E-04    -1.45079192E-04
    -1.50982473E-03     1.02357333E-04     5.01315888E-05    -5.94257615E-04
     5.85328602E-04    -1.23073580E-04    -2.07919242E-04     1.95144129E-04
    -2.12223175E-04    -1.01933081E-03     3.58436004E-04     2.00394604E-04
    -3.46182760E-05    -4.76522060E-05    -3.69129275E-06     1.60668587E-04
    -1.73105574E-04     4.55829746E-04    -8.81009920E-05    -2.65826768E-05
     1.54215662E-04    -3.54587694E-05     2.18465961E-05    -5.12293909E-05
    -2.77405454E-03     2.29571741E-03     3.17357094E-03    -2.16575223E-03
     7.65618010E-04     3.29927206E-03     2.64661502E-03    -6.63804689E-04
    -1.63898136E-04     1.58939827E-03    -1.57549719E-03    -8.22659179E-04
     8.05187979E-04    -1.14049400E-03     3.70558049E-04    -2.37839624E-04
     1.02306448E-03    -1.26178599E-03     2.68412445E-04     2.73266394E-03
    -9.71526202E-04     1.51291297E-05     6.54308144E-04    -1.35898353E-04
     5.92345389E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.667887E+00 ->   1.666486E+00
           Unreweighted mean energy (a.u.)  :  -1.138356E+02 ->  -1.138355E+02


 Writing parameters to correlation.out.13.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 17
 NL2SOL iteration     : 5

 Current parameters:
 Be  8.70283910E-01     8.46034926E-03    -2.41382533E-01    -7.63108388E-01
     6.13378500E+00    -7.73889425E+00    -9.94257155E+00     2.67746614E+01
    -1.47222157E+01     1.70484677E+00     9.48924463E-04    -5.88544176E-03
     2.14733127E-02    -6.75284464E-02     1.39663009E-01    -1.62707395E-01
     1.00569618E-01    -2.95525395E-02     2.97777036E-03 Bm  2.29945891E+00
    -9.10161048E-02    -1.25137786E-01     2.51314592E-01    -1.29458818E-01
     2.20554319E-02    -6.70657869E-02    -2.16001300E-01     3.93212665E-01
    -1.98507831E-01     3.13709398E-02 BP  6.59964806E+00     3.78422417E-05
    -1.46707444E-05    -5.89683633E-05     2.29510042E-05     3.45294349E-06
    -1.36510486E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.68149351E+00     6.35412409E-03    -1.77951055E-03     4.45091039E-03
    -7.15376956E-03     4.94077876E-03    -1.70864705E-03     3.09459548E-04
    -2.44158592E-05     9.37716248E-03     4.05441177E-03    -1.13176254E-02
     1.44285574E-02    -1.04686033E-02     4.33572899E-03    -9.37529382E-04
     8.26377617E-05 JX  3.49343621E+00    -2.53558290E-02     3.70563995E-03
     2.37868654E-02    -3.17098456E-02     1.47800647E-02    -2.27111144E-03
 Jf  3.13052018E+00    -2.96701429E-05     3.10922388E-04    -1.43967767E-04
    -1.49004975E-03     1.02866128E-04     4.46543134E-05    -5.89777763E-04
     5.75724533E-04    -1.20914448E-04    -2.08162125E-04     1.92157991E-04
    -2.13476778E-04    -1.02024520E-03     3.58380144E-04     2.01255031E-04
    -3.42848947E-05    -4.66338578E-05    -6.31313482E-06     1.60062365E-04
    -1.68557743E-04     4.56506774E-04    -8.84240356E-05    -2.68430207E-05
     1.53827659E-04    -3.54416292E-05     2.17449010E-05    -4.83308679E-05
    -2.77100673E-03     2.29671446E-03     3.17911082E-03    -2.16471814E-03
     7.63706670E-04     3.29688263E-03     2.64565934E-03    -6.62645920E-04
    -1.65560270E-04     1.58828851E-03    -1.57608276E-03    -8.24226869E-04
     8.05441859E-04    -1.14174227E-03     3.70989281E-04    -2.37410916E-04
     1.02148413E-03    -1.26139028E-03     2.70740794E-04     2.73464351E-03
    -9.71583249E-04     1.49604857E-05     6.53390461E-04    -1.35833719E-04
     5.92472730E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.666486E+00 ->   1.669625E+00
           Unreweighted mean energy (a.u.)  :  -1.138355E+02 ->  -1.138359E+02


 Writing parameters to correlation.out.13.

 Current parameters:
 Be  8.70267514E-01     8.74515912E-03    -2.46529658E-01    -7.61728753E-01
     6.13777147E+00    -7.73422998E+00    -9.93463679E+00     2.67817115E+01
    -1.47542436E+01     1.70484682E+00     9.49635368E-04    -5.90352447E-03
     2.15472179E-02    -6.76021145E-02     1.39624661E-01    -1.62683502E-01
     1.00604970E-01    -2.95401928E-02     2.95754184E-03 Bm  2.29084021E+00
    -8.82057863E-02    -1.29914218E-01     2.55240114E-01    -1.31578855E-01
     2.25165915E-02    -6.13073209E-02    -2.27956286E-01     4.01109903E-01
    -1.99756167E-01     3.12077081E-02 BP  6.60880506E+00     3.76806234E-05
    -1.45963970E-05    -5.86510112E-05     2.27826307E-05     3.44468325E-06
    -1.35097650E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69177512E+00     6.27358457E-03    -1.76950999E-03     4.42898324E-03
    -7.12167668E-03     4.93720811E-03    -1.71137103E-03     3.09122436E-04
    -2.41647894E-05     9.27565754E-03     4.03663222E-03    -1.12704416E-02
     1.44193480E-02    -1.04755041E-02     4.33510890E-03    -9.35181170E-04
     8.20995062E-05 JX  3.49471737E+00    -2.52673250E-02     3.67326049E-03
     2.38246435E-02    -3.17505498E-02     1.47978032E-02    -2.27351737E-03
 Jf  3.12930556E+00    -3.02620635E-05     3.11514492E-04    -1.44701158E-04
    -1.50444171E-03     1.02874076E-04     4.86262163E-05    -5.94162045E-04
     5.81992437E-04    -1.21806503E-04    -2.08589739E-04     1.94745232E-04
    -2.13101664E-04    -1.01945333E-03     3.58449622E-04     2.00167673E-04
    -3.45839659E-05    -4.74283805E-05    -4.66084778E-06     1.60537502E-04
    -1.71520490E-04     4.55698233E-04    -8.81916538E-05    -2.66970850E-05
     1.54078084E-04    -3.54561488E-05     2.18938641E-05    -4.96878941E-05
    -2.77309466E-03     2.29591967E-03     3.17676922E-03    -2.16519454E-03
     7.65020187E-04     3.29944721E-03     2.64585539E-03    -6.63289274E-04
    -1.64438620E-04     1.58919781E-03    -1.57609364E-03    -8.22967387E-04
     8.05277262E-04    -1.14090979E-03     3.70573296E-04    -2.37683010E-04
     1.02264042E-03    -1.26175286E-03     2.69650983E-04     2.73269422E-03
    -9.71539156E-04     1.50849063E-05     6.54030288E-04    -1.35918288E-04
     5.92899757E-05

 Rejected step:
 Variance  :   1.669625E+00 ->   1.669626E+00
 Energy    :  -1.138359E+02 ->  -1.138358E+02

 Current parameters:
 Be  8.67001609E-01     8.77099586E-03    -2.49634261E-01    -7.70276020E-01
     6.23238125E+00    -7.87804887E+00    -1.01581929E+01     2.74959415E+01
    -1.52132875E+01     1.70484776E+00     9.52251591E-04    -5.91821703E-03
     2.15458812E-02    -6.76071870E-02     1.39632294E-01    -1.62668734E-01
     1.00613800E-01    -2.95408400E-02     2.94745494E-03 Bm  2.27014914E+00
    -8.56184285E-02    -1.36131449E-01     2.63835405E-01    -1.37651388E-01
     2.39284757E-02    -5.79747502E-02    -2.37633475E-01     4.16111652E-01
    -2.08467805E-01     3.29278077E-02 BP  6.61206456E+00     3.76219677E-05
    -1.45697187E-05    -5.85373131E-05     2.27246078E-05     3.43991051E-06
    -1.34609032E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69356914E+00     6.23889148E-03    -1.75795801E-03     4.42154042E-03
    -7.11273113E-03     4.93787880E-03    -1.71244690E-03     3.08750091E-04
    -2.40109364E-05     9.23890281E-03     4.05656457E-03    -1.12650525E-02
     1.44166783E-02    -1.04764137E-02     4.33527543E-03    -9.34834899E-04
     8.19943361E-05 JX  3.49437365E+00    -2.51826655E-02     3.71328023E-03
     2.38163602E-02    -3.17622657E-02     1.48006235E-02    -2.27401554E-03
 Jf  3.12743514E+00    -3.08288897E-05     3.10728744E-04    -1.45091964E-04
    -1.50873841E-03     1.02561565E-04     5.01212642E-05    -5.94445281E-04
     5.85253744E-04    -1.22073278E-04    -2.07933994E-04     1.95094569E-04
    -2.12419170E-04    -1.01935753E-03     3.58445243E-04     2.00383772E-04
    -3.46194302E-05    -4.76443206E-05    -3.60730135E-06     1.60596405E-04
    -1.73072638E-04     4.55688722E-04    -8.81084616E-05    -2.65827768E-05
     1.54192759E-04    -3.54587781E-05     2.18550226E-05    -5.11429693E-05
    -2.77376566E-03     2.29567843E-03     3.17413193E-03    -2.16564448E-03
     7.65568252E-04     3.29959134E-03     2.64673491E-03    -6.63744111E-04
    -1.63736545E-04     1.58940142E-03    -1.57567253E-03    -8.22764887E-04
     8.05203861E-04    -1.14054104E-03     3.70554849E-04    -2.37837233E-04
     1.02311495E-03    -1.26179833E-03     2.68660012E-04     2.73244695E-03
    -9.71529202E-04     1.51384062E-05     6.54270323E-04    -1.35899896E-04
     5.92417909E-05

 Rejected step:
 Variance  :   1.669625E+00 ->   1.667792E+00
 Energy    :  -1.138359E+02 ->  -1.138360E+02

 Current parameters:
 Be  8.65298056E-01     8.76334126E-03    -2.50640273E-01    -7.74690680E-01
     6.28190832E+00    -7.95558997E+00    -1.02787539E+01     2.78764383E+01
    -1.54563974E+01     1.70485020E+00     9.49150654E-04    -5.91956832E-03
     2.15487474E-02    -6.76034208E-02     1.39634435E-01    -1.62665981E-01
     1.00612946E-01    -2.95418120E-02     2.94534890E-03 Bm  2.25714801E+00
    -8.58419081E-02    -1.38944503E-01     2.69789901E-01    -1.41682238E-01
     2.47838421E-02    -5.80187940E-02    -2.41723805E-01     4.25843349E-01
    -2.14496453E-01     3.40911554E-02 BP  6.61102617E+00     3.76395748E-05
    -1.45789608E-05    -5.85741908E-05     2.27423745E-05     3.44269916E-06
    -1.34734971E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69385317E+00     6.23892685E-03    -1.75723916E-03     4.42072655E-03
    -7.11255378E-03     4.93787646E-03    -1.71248334E-03     3.08741290E-04
    -2.40002362E-05     9.23680510E-03     4.06080062E-03    -1.12660306E-02
     1.44163117E-02    -1.04762766E-02     4.33538891E-03    -9.34810160E-04
     8.19713666E-05 JX  3.49434893E+00    -2.51733108E-02     3.72375883E-03
     2.38163426E-02    -3.17631189E-02     1.48006927E-02    -2.27415391E-03
 Jf  3.12709868E+00    -3.12512434E-05     3.10579681E-04    -1.45109351E-04
    -1.50947409E-03     1.02428186E-04     5.01289947E-05    -5.94314716E-04
     5.85447153E-04    -1.22430595E-04    -2.07870730E-04     1.95120677E-04
    -2.12289788E-04    -1.01934318E-03     3.58435096E-04     2.00427805E-04
    -3.46114157E-05    -4.76506759E-05    -3.62950462E-06     1.60635177E-04
    -1.73133581E-04     4.55766561E-04    -8.81035576E-05    -2.65824484E-05
     1.54221259E-04    -3.54569975E-05     2.18476840E-05    -5.12433093E-05
    -2.77395898E-03     2.29568301E-03     3.17375834E-03    -2.16573016E-03
     7.65571984E-04     3.29936981E-03     2.64670568E-03    -6.63866577E-04
    -1.63846148E-04     1.58939577E-03    -1.57555772E-03    -8.22685592E-04
     8.05191192E-04    -1.14049459E-03     3.70557972E-04    -2.37844836E-04
     1.02307764E-03    -1.26179579E-03     2.68476593E-04     2.73260143E-03
    -9.71526419E-04     1.51326258E-05     6.54302483E-04    -1.35898263E-04
     5.92347212E-05

 Rejected step:
 Variance  :   1.669625E+00 ->   1.667158E+00
 Energy    :  -1.138359E+02 ->  -1.138354E+02

 Current parameters:
 Be  8.64632460E-01     8.76449535E-03    -2.51010607E-01    -7.76429389E-01
     6.30133024E+00    -7.98628017E+00    -1.03265403E+01     2.80264573E+01
    -1.55528321E+01     1.70485410E+00     9.46286322E-04    -5.91906886E-03
     2.15512558E-02    -6.76007286E-02     1.39634389E-01    -1.62663828E-01
     1.00611179E-01    -2.95421149E-02     2.94434867E-03 Bm  2.25048306E+00
    -8.62176107E-02    -1.40268250E-01     2.72975489E-01    -1.43787407E-01
     2.52373629E-02    -5.82153079E-02    -2.43834559E-01     4.30927729E-01
    -2.17686212E-01     3.46996633E-02 BP  6.61037421E+00     3.76506884E-05
    -1.45847284E-05    -5.85973181E-05     2.27535777E-05     3.44440717E-06
    -1.34814754E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69398084E+00     6.23948660E-03    -1.75598302E-03     4.42044960E-03
    -7.11275711E-03     4.93777401E-03    -1.71250658E-03     3.08745776E-04
    -2.39921955E-05     9.23687108E-03     4.06172253E-03    -1.12663749E-02
     1.44162307E-02    -1.04762123E-02     4.33542815E-03    -9.34806717E-04
     8.19610892E-05 JX  3.49433604E+00    -2.51711610E-02     3.72682254E-03
     2.38160820E-02    -3.17632403E-02     1.48007920E-02    -2.27413106E-03
 Jf  3.12709657E+00    -3.14562854E-05     3.10526954E-04    -1.45098424E-04
    -1.50973937E-03     1.02370332E-04     5.01175809E-05    -5.94287191E-04
     5.85379596E-04    -1.22736105E-04    -2.07878466E-04     1.95132405E-04
    -2.12247215E-04    -1.01933433E-03     3.58434650E-04     2.00410888E-04
    -3.46143801E-05    -4.76503547E-05    -3.65144099E-06     1.60654738E-04
    -1.73126494E-04     4.55809346E-04    -8.81020979E-05    -2.65827913E-05
     1.54220633E-04    -3.54574012E-05     2.18474920E-05    -5.12322944E-05
    -2.77403160E-03     2.29569952E-03     3.17361279E-03    -2.16575487E-03
     7.65588017E-04     3.29929437E-03     2.64664190E-03    -6.63859858E-04
    -1.63896388E-04     1.58939176E-03    -1.57552041E-03    -8.22666809E-04
     8.05188435E-04    -1.14049522E-03     3.70557384E-04    -2.37842940E-04
     1.02305313E-03    -1.26179338E-03     2.68422493E-04     2.73264657E-03
    -9.71526445E-04     1.51301902E-05     6.54306548E-04    -1.35898364E-04
     5.92341785E-05

 Rejected step:
 Variance  :   1.669625E+00 ->   1.667410E+00
 Energy    :  -1.138359E+02 ->  -1.138351E+02

 Current parameters:
 Be  8.64352143E-01     8.76446973E-03    -2.51176126E-01    -7.77188166E-01
     6.30948300E+00    -7.99932630E+00    -1.03468471E+01     2.80897953E+01
    -1.55937701E+01     1.70485855E+00     9.44510074E-04    -5.91881263E-03
     2.15526001E-02    -6.75989477E-02     1.39633573E-01    -1.62661611E-01
     1.00609339E-01    -2.95420204E-02     2.94378224E-03 Bm  2.24708660E+00
    -8.63703175E-02    -1.40854245E-01     2.74662730E-01    -1.44856601E-01
     2.54790315E-02    -5.83875874E-02    -2.44967632E-01     4.33519211E-01
    -2.19348717E-01     3.50076486E-02 BP  6.61045055E+00     3.76493560E-05
    -1.45840670E-05    -5.85946553E-05     2.27522450E-05     3.44419581E-06
    -1.34806015E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69401922E+00     6.23938107E-03    -1.75492839E-03     4.42044985E-03
    -7.11288927E-03     4.93768948E-03    -1.71253245E-03     3.08744189E-04
    -2.39889261E-05     9.23712292E-03     4.06193892E-03    -1.12665034E-02
     1.44162050E-02    -1.04761925E-02     4.33543593E-03    -9.34810674E-04
     8.19545872E-05 JX  3.49431246E+00    -2.51702972E-02     3.72768627E-03
     2.38158649E-02    -3.17632397E-02     1.48008655E-02    -2.27409877E-03
 Jf  3.12714469E+00    -3.15369758E-05     3.10512124E-04    -1.45088036E-04
    -1.50982629E-03     1.02352950E-04     5.01203071E-05    -5.94275907E-04
     5.85331290E-04    -1.22952999E-04    -2.07901566E-04     1.95139193E-04
    -2.12231075E-04    -1.01933059E-03     3.58435604E-04     2.00396932E-04
    -3.46175156E-05    -4.76515442E-05    -3.67151653E-06     1.60664453E-04
    -1.73112319E-04     4.55828067E-04    -8.81012829E-05    -2.65826820E-05
     1.54216884E-04    -3.54583442E-05     2.18470079E-05    -5.12291403E-05
    -2.77405641E-03     2.29570979E-03     3.17356174E-03    -2.16575976E-03
     7.65603119E-04     3.29927008E-03     2.64661440E-03    -6.63829340E-04
    -1.63908328E-04     1.58939209E-03    -1.57550616E-03    -8.22663528E-04
     8.05187364E-04    -1.14049845E-03     3.70556798E-04    -2.37841393E-04
     1.02305271E-03    -1.26179056E-03     2.68408094E-04     2.73265843E-03
    -9.71526904E-04     1.51291247E-05     6.54306497E-04    -1.35898637E-04
     5.92342194E-05

 Rejected step:
 Variance  :   1.669625E+00 ->   1.666498E+00
 Energy    :  -1.138359E+02 ->  -1.138354E+02

 Current parameters:
 Be  8.64297969E-01     8.76400779E-03    -2.51212359E-01    -7.77342819E-01
     6.31104735E+00    -8.00186822E+00    -1.03507981E+01     2.81020323E+01
    -1.56017181E+01     1.70485996E+00     9.44126254E-04    -5.91878519E-03
     2.15528479E-02    -6.75985390E-02     1.39633222E-01    -1.62660951E-01
     1.00608761E-01    -2.95419645E-02     2.94364165E-03 Bm  2.24633379E+00
    -8.63700808E-02    -1.40959063E-01     2.75049683E-01    -1.45090301E-01
     2.55348010E-02    -5.84408174E-02    -2.45231869E-01     4.34089586E-01
    -2.19722560E-01     3.50747793E-02 BP  6.61061112E+00     3.76465843E-05
    -1.45826613E-05    -5.85890048E-05     2.27494653E-05     3.44376250E-06
    -1.34786974E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69402091E+00     6.23923165E-03    -1.75466826E-03     4.42048189E-03
    -7.11291012E-03     4.93767005E-03    -1.71254024E-03     3.08742561E-04
    -2.39887640E-05     9.23720890E-03     4.06193855E-03    -1.12665434E-02
     1.44161889E-02    -1.04761969E-02     4.33543269E-03    -9.34813608E-04
     8.19525360E-05 JX  3.49430670E+00    -2.51701537E-02     3.72772119E-03
     2.38158093E-02    -3.17632283E-02     1.48008865E-02    -2.27408896E-03
 Jf  3.12716000E+00    -3.15476905E-05     3.10512982E-04    -1.45085008E-04
    -1.50983295E-03     1.02352554E-04     5.01230986E-05    -5.94270569E-04
     5.85326908E-04    -1.23011989E-04    -2.07910494E-04     1.95140832E-04
    -2.12228242E-04    -1.01933104E-03     3.58435666E-04     2.00394352E-04
    -3.46182661E-05    -4.76521738E-05    -3.67970995E-06     1.60666242E-04
    -1.73108533E-04     4.55829342E-04    -8.81012572E-05    -2.65827201E-05
     1.54215850E-04    -3.54586562E-05     2.18467285E-05    -5.12302329E-05
    -2.77405816E-03     2.29571232E-03     3.17356001E-03    -2.16575820E-03
     7.65608123E-04     3.29926794E-03     2.64661325E-03    -6.63817820E-04
    -1.63906019E-04     1.58939368E-03    -1.57550316E-03    -8.22662851E-04
     8.05187249E-04    -1.14049793E-03     3.70556923E-04    -2.37840976E-04
     1.02305707E-03    -1.26178915E-03     2.68408508E-04     2.73265990E-03
    -9.71526912E-04     1.51289536E-05     6.54306697E-04    -1.35898660E-04
     5.92342349E-05

 Rejected step:
 Variance  :   1.669625E+00 ->   1.666587E+00
 Energy    :  -1.138359E+02 ->  -1.138355E+02

 Current parameters:
 Be  8.64268793E-01     8.76360179E-03    -2.51233247E-01    -7.77428568E-01
     6.31188622E+00    -8.00324267E+00    -1.03529325E+01     2.81086188E+01
    -1.56060062E+01     1.70486083E+00     9.43914990E-04    -5.91879458E-03
     2.15529488E-02    -6.75983363E-02     1.39632962E-01    -1.62660566E-01
     1.00608383E-01    -2.95419382E-02     2.94355054E-03 Bm  2.24590280E+00
    -8.63583024E-02    -1.41011597E-01     2.75274733E-01    -1.45222989E-01
     2.55673248E-02    -5.84751818E-02    -2.45386316E-01     4.34414970E-01
    -2.19937701E-01     3.51129144E-02 BP  6.61075566E+00     3.76440812E-05
    -1.45813992E-05    -5.85839286E-05     2.27469597E-05     3.44336881E-06
    -1.34769972E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69401903E+00     6.23908847E-03    -1.75453431E-03     4.42050315E-03
    -7.11291957E-03     4.93765967E-03    -1.71254470E-03     3.08741508E-04
    -2.39887520E-05     9.23726145E-03     4.06190914E-03    -1.12665834E-02
     1.44161690E-02    -1.04762054E-02     4.33542809E-03    -9.34816288E-04
     8.19510779E-05 JX  3.49430560E+00    -2.51701321E-02     3.72766410E-03
     2.38157559E-02    -3.17632266E-02     1.48008972E-02    -2.27408336E-03
 Jf  3.12716829E+00    -3.15505792E-05     3.10515827E-04    -1.45082499E-04
    -1.50983138E-03     1.02354056E-04     5.01263182E-05    -5.94264981E-04
     5.85327389E-04    -1.23049624E-04    -2.07916480E-04     1.95142134E-04
    -2.12226225E-04    -1.01933159E-03     3.58435678E-04     2.00393516E-04
    -3.46185767E-05    -4.76525187E-05    -3.68617106E-06     1.60667304E-04
    -1.73106596E-04     4.55829086E-04    -8.81012595E-05    -2.65827625E-05
     1.54215365E-04    -3.54588261E-05     2.18465482E-05    -5.12307333E-05
    -2.77405723E-03     2.29571448E-03     3.17356386E-03    -2.16575572E-03
     7.65612513E-04     3.29926864E-03     2.64661423E-03    -6.63809334E-04
    -1.63902147E-04     1.58939571E-03    -1.57550061E-03    -8.22661612E-04
     8.05187415E-04    -1.14049650E-03     3.70557295E-04    -2.37840502E-04
     1.02306157E-03    -1.26178768E-03     2.68410403E-04     2.73266136E-03
    -9.71526710E-04     1.51289495E-05     6.54307186E-04    -1.35898587E-04
     5.92343069E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.669625E+00 ->   1.666469E+00
           Unreweighted mean energy (a.u.)  :  -1.138359E+02 ->  -1.138355E+02


 Writing parameters to correlation.out.13.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 25
 NL2SOL iteration     : 6

 Current parameters:
 Be  8.64286357E-01     8.76388440E-03    -2.51220336E-01    -7.77376344E-01
     6.31138215E+00    -8.00241398E+00    -1.03516461E+01     2.81046551E+01
    -1.56034232E+01     1.70486083E+00     9.44043300E-04    -5.91877576E-03
     2.15528895E-02    -6.75983803E-02     1.39632960E-01    -1.62660534E-01
     1.00608433E-01    -2.95418835E-02     2.94360274E-03 Bm  2.24616396E+00
    -8.63665351E-02    -1.40980371E-01     2.75138133E-01    -1.45142628E-01
     2.55475969E-02    -5.84539219E-02    -2.45292718E-01     4.34217702E-01
    -2.19807353E-01     3.50897681E-02 BP  6.61065298E+00     3.76458623E-05
    -1.45822946E-05    -5.85875310E-05     2.27487410E-05     3.44364978E-06
    -1.34782000E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69402193E+00     6.23920059E-03    -1.75460563E-03     4.42049321E-03
    -7.11291251E-03     4.93766658E-03    -1.71254177E-03     3.08742206E-04
    -2.39887490E-05     9.23723859E-03     4.06194112E-03    -1.12665510E-02
     1.44161857E-02    -1.04761979E-02     4.33543184E-03    -9.34814336E-04
     8.19520526E-05 JX  3.49430435E+00    -2.51701102E-02     3.72774040E-03
     2.38158099E-02    -3.17632194E-02     1.48008938E-02    -2.27408584E-03
 Jf  3.12716309E+00    -3.15499274E-05     3.10512973E-04    -1.45084593E-04
    -1.50983476E-03     1.02352196E-04     5.01231414E-05    -5.94269762E-04
     5.85326271E-04    -1.23024785E-04    -2.07912645E-04     1.95140986E-04
    -2.12227945E-04    -1.01933147E-03     3.58435596E-04     2.00393500E-04
    -3.46185393E-05    -4.76524562E-05    -3.68146828E-06     1.60666498E-04
    -1.73107748E-04     4.55829235E-04    -8.81013218E-05    -2.65827613E-05
     1.54215490E-04    -3.54587667E-05     2.18466179E-05    -5.12304791E-05
    -2.77405874E-03     2.29571258E-03     3.17355923E-03    -2.16575811E-03
     7.65608715E-04     3.29926704E-03     2.64661312E-03    -6.63814404E-04
    -1.63905284E-04     1.58939393E-03    -1.57550280E-03    -8.22662909E-04
     8.05187162E-04    -1.14049802E-03     3.70556872E-04    -2.37840992E-04
     1.02305854E-03    -1.26178891E-03     2.68408686E-04     2.73265999E-03
    -9.71526966E-04     1.51288912E-05     6.54306638E-04    -1.35898698E-04
     5.92342012E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.666469E+00 ->   1.666489E+00
           Unreweighted mean energy (a.u.)  :  -1.138355E+02 ->  -1.138355E+02


 Writing parameters to correlation.out.13.

 Current parameters:
 Be  8.64275513E-01     8.76371665E-03    -2.51228248E-01    -7.77408483E-01
     6.31169353E+00    -8.00292540E+00    -1.03524401E+01     2.81071026E+01
    -1.56050177E+01     1.70486083E+00     9.43964704E-04    -5.91878436E-03
     2.15529299E-02    -6.75983492E-02     1.39632965E-01    -1.62660551E-01
     1.00608405E-01    -2.95419156E-02     2.94357170E-03 Bm  2.24600389E+00
    -8.63619011E-02    -1.40999790E-01     2.75221728E-01    -1.45191927E-01
     2.55596663E-02    -5.84667942E-02    -2.45349972E-01     4.34338655E-01
    -2.19887210E-01     3.51039653E-02 BP  6.61071324E+00     3.76448175E-05
    -1.45817689E-05    -5.85854160E-05     2.27476958E-05     3.44348514E-06
    -1.34774931E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69402069E+00     6.23913957E-03    -1.75455606E-03     4.42050191E-03
    -7.11291581E-03     4.93766268E-03    -1.71254349E-03     3.08741785E-04
    -2.39887553E-05     9.23725631E-03     4.06192727E-03    -1.12665670E-02
     1.44161774E-02    -1.04762016E-02     4.33542984E-03    -9.34815452E-04
     8.19514694E-05 JX  3.49430434E+00    -2.51701053E-02     3.72770696E-03
     2.38157859E-02    -3.17632200E-02     1.48008973E-02    -2.27408388E-03
 Jf  3.12716646E+00    -3.15507968E-05     3.10514291E-04    -1.45083573E-04
    -1.50983344E-03     1.02353012E-04     5.01246166E-05    -5.94267409E-04
     5.85326860E-04    -1.23039576E-04    -2.07915083E-04     1.95141511E-04
    -2.12227162E-04    -1.01933171E-03     3.58435601E-04     2.00393300E-04
    -3.46186264E-05    -4.76525636E-05    -3.68415135E-06     1.60666892E-04
    -1.73107045E-04     4.55829015E-04    -8.81013221E-05    -2.65827777E-05
     1.54215336E-04    -3.54588238E-05     2.18465548E-05    -5.12308662E-05
    -2.77405810E-03     2.29571351E-03     3.17356143E-03    -2.16575693E-03
     7.65610628E-04     3.29926761E-03     2.64661379E-03    -6.63811277E-04
    -1.63903600E-04     1.58939483E-03    -1.57550174E-03    -8.22662352E-04
     8.05187253E-04    -1.14049731E-03     3.70557057E-04    -2.37840775E-04
     1.02306035E-03    -1.26178828E-03     2.68409616E-04     2.73266058E-03
    -9.71526863E-04     1.51289023E-05     6.54306881E-04    -1.35898656E-04
     5.92342399E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.666489E+00 ->   1.666388E+00
           Unreweighted mean energy (a.u.)  :  -1.138355E+02 ->  -1.138355E+02


 Writing parameters to correlation.out.13.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 27
 NL2SOL iteration     : 7

 Current parameters:
 Be  8.64288760E-01     8.76392310E-03    -2.51218567E-01    -7.77369195E-01
     6.31131317E+00    -8.00230067E+00    -1.03514702E+01     2.81041126E+01
    -1.56030701E+01     1.70486083E+00     9.44061228E-04    -5.91877184E-03
     2.15528831E-02    -6.75983844E-02     1.39632961E-01    -1.62660529E-01
     1.00608440E-01    -2.95418754E-02     2.94361024E-03 Bm  2.24620824E+00
    -8.63674074E-02    -1.40975153E-01     2.75114931E-01    -1.45129024E-01
     2.55442511E-02    -5.84505245E-02    -2.45277052E-01     4.34184145E-01
    -2.19785331E-01     3.50858063E-02 BP  6.61063738E+00     3.76461333E-05
    -1.45824305E-05    -5.85880779E-05     2.27490118E-05     3.44369265E-06
    -1.34783821E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69402243E+00     6.23922377E-03    -1.75461952E-03     4.42049199E-03
    -7.11291144E-03     4.93766762E-03    -1.71254134E-03     3.08742317E-04
    -2.39887402E-05     9.23723365E-03     4.06194750E-03    -1.12665455E-02
     1.44161883E-02    -1.04761968E-02     4.33543240E-03    -9.34814050E-04
     8.19521931E-05 JX  3.49430399E+00    -2.51701049E-02     3.72775833E-03
     2.38158186E-02    -3.17632177E-02     1.48008936E-02    -2.27408596E-03
 Jf  3.12716233E+00    -3.15498800E-05     3.10512349E-04    -1.45084960E-04
    -1.50983546E-03     1.02351807E-04     5.01225751E-05    -5.94270649E-04
     5.85326104E-04    -1.23020962E-04    -2.07911966E-04     1.95140760E-04
    -2.12228206E-04    -1.01933146E-03     3.58435582E-04     2.00393501E-04
    -3.46185367E-05    -4.76524496E-05    -3.68074105E-06     1.60666350E-04
    -1.73107882E-04     4.55829275E-04    -8.81013319E-05    -2.65827621E-05
     1.54215502E-04    -3.54587608E-05     2.18466257E-05    -5.12303877E-05
    -2.77405906E-03     2.29571220E-03     3.17355833E-03    -2.16575858E-03
     7.65607991E-04     3.29926674E-03     2.64661300E-03    -6.63815210E-04
    -1.63905926E-04     1.58939353E-03    -1.57550325E-03    -8.22663115E-04
     8.05187124E-04    -1.14049832E-03     3.70556804E-04    -2.37841045E-04
     1.02305801E-03    -1.26178918E-03     2.68408365E-04     2.73265977E-03
    -9.71527006E-04     1.51288829E-05     6.54306546E-04    -1.35898711E-04
     5.92341905E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.666388E+00 ->   1.666475E+00
           Unreweighted mean energy (a.u.)  :  -1.138355E+02 ->  -1.138355E+02


 Writing parameters to correlation.out.13.

 Current parameters:
 Be  8.64278008E-01     8.76375795E-03    -2.51226404E-01    -7.77401045E-01
     6.31162195E+00    -8.00280765E+00    -1.03522573E+01     2.81065395E+01
    -1.56046508E+01     1.70486083E+00     9.43983130E-04    -5.91878085E-03
     2.15529226E-02    -6.75983544E-02     1.39632965E-01    -1.62660545E-01
     1.00608412E-01    -2.95419074E-02     2.94357941E-03 Bm  2.24604285E+00
    -8.63631139E-02    -1.40995208E-01     2.75201314E-01    -1.45179953E-01
     2.55567183E-02    -5.84636307E-02    -2.45336026E-01     4.34309214E-01
    -2.19867773E-01     3.51005072E-02 BP  6.61069778E+00     3.76450860E-05
    -1.45819037E-05    -5.85859584E-05     2.27479642E-05     3.44352755E-06
    -1.34776739E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69402122E+00     6.23915867E-03    -1.75456589E-03     4.42050096E-03
    -7.11291462E-03     4.93766373E-03    -1.71254305E-03     3.08741889E-04
    -2.39887542E-05     9.23725336E-03     4.06193344E-03    -1.12665615E-02
     1.44161802E-02    -1.04762004E-02     4.33543044E-03    -9.34815156E-04
     8.19516126E-05 JX  3.49430398E+00    -2.51700984E-02     3.72772221E-03
     2.38157955E-02    -3.17632182E-02     1.48008972E-02    -2.27408412E-03
 Jf  3.12716574E+00    -3.15508032E-05     3.10513742E-04    -1.45083938E-04
    -1.50983413E-03     1.02352650E-04     5.01240427E-05    -5.94268253E-04
     5.85326675E-04    -1.23035866E-04    -2.07914522E-04     1.95141296E-04
    -2.12227461E-04    -1.01933172E-03     3.58435581E-04     2.00393255E-04
    -3.46186331E-05    -4.76525667E-05    -3.68342827E-06     1.60666749E-04
    -1.73107206E-04     4.55829019E-04    -8.81013378E-05    -2.65827804E-05
     1.54215339E-04    -3.54588193E-05     2.18465610E-05    -5.12308581E-05
    -2.77405840E-03     2.29571316E-03     3.17356058E-03    -2.16575736E-03
     7.65609957E-04     3.29926728E-03     2.64661363E-03    -6.63812023E-04
    -1.63904139E-04     1.58939450E-03    -1.57550214E-03    -8.22662586E-04
     8.05187205E-04    -1.14049760E-03     3.70556980E-04    -2.37840857E-04
     1.02305989E-03    -1.26178850E-03     2.68409330E-04     2.73266034E-03
    -9.71526910E-04     1.51288897E-05     6.54306781E-04    -1.35898676E-04
     5.92342211E-05

 Rejected step:
 Variance  :   1.666475E+00 ->   1.666395E+00
 Energy    :  -1.138355E+02 ->  -1.138355E+02

 Current parameters:
 Be  8.64276256E-01     8.76372906E-03    -2.51227698E-01    -7.77406266E-01
     6.31167222E+00    -8.00289033E+00    -1.03523857E+01     2.81069349E+01
    -1.56049085E+01     1.70486083E+00     9.43970205E-04    -5.91878324E-03
     2.15529278E-02    -6.75983507E-02     1.39632965E-01    -1.62660549E-01
     1.00608407E-01    -2.95419131E-02     2.94357402E-03 Bm  2.24601552E+00
    -8.63622699E-02    -1.40998427E-01     2.75215633E-01    -1.45188354E-01
     2.55587861E-02    -5.84658468E-02    -2.45345808E-01     4.34329869E-01
    -2.19881409E-01     3.51029334E-02 BP  6.61070858E+00     3.76448985E-05
    -1.45818095E-05    -5.85855795E-05     2.27477767E-05     3.44349793E-06
    -1.34775475E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69402087E+00     6.23914553E-03    -1.75455877E-03     4.42050173E-03
    -7.11291541E-03     4.93766301E-03    -1.71254335E-03     3.08741817E-04
    -2.39887551E-05     9.23725559E-03     4.06192932E-03    -1.12665653E-02
     1.44161783E-02    -1.04762012E-02     4.33543003E-03    -9.34815362E-04
     8.19515124E-05 JX  3.49430421E+00    -2.51701026E-02     3.72771201E-03
     2.38157891E-02    -3.17632193E-02     1.48008973E-02    -2.27408393E-03
 Jf  3.12716625E+00    -3.15508150E-05     3.10514111E-04    -1.45083692E-04
    -1.50983367E-03     1.02352892E-04     5.01244271E-05    -5.94267682E-04
     5.85326804E-04    -1.23038455E-04    -2.07914920E-04     1.95141440E-04
    -2.12227262E-04    -1.01933171E-03     3.58435593E-04     2.00393278E-04
    -3.46186309E-05    -4.76525673E-05    -3.68392954E-06     1.60666845E-04
    -1.73107093E-04     4.55829010E-04    -8.81013283E-05    -2.65827792E-05
     1.54215334E-04    -3.54588233E-05     2.18465558E-05    -5.12308726E-05
    -2.77405820E-03     2.29571340E-03     3.17356116E-03    -2.16575707E-03
     7.65610411E-04     3.29926750E-03     2.64661374E-03    -6.63811496E-04
    -1.63903768E-04     1.58939473E-03    -1.57550187E-03    -8.22662431E-04
     8.05187236E-04    -1.14049741E-03     3.70557031E-04    -2.37840803E-04
     1.02306022E-03    -1.26178835E-03     2.68409528E-04     2.73266050E-03
    -9.71526879E-04     1.51288977E-05     6.54306848E-04    -1.35898663E-04
     5.92342334E-05

 Rejected step:
 Variance  :   1.666475E+00 ->   1.666395E+00
 Energy    :  -1.138355E+02 ->  -1.138355E+02

 Current parameters:
 Be  8.64275630E-01     8.76371861E-03    -2.51228162E-01    -7.77408133E-01
     6.31169017E+00    -8.00291987E+00    -1.03524315E+01     2.81070761E+01
    -1.56050005E+01     1.70486083E+00     9.43965573E-04    -5.91878418E-03
     2.15529296E-02    -6.75983494E-02     1.39632965E-01    -1.62660550E-01
     1.00608405E-01    -2.95419152E-02     2.94357207E-03 Bm  2.24600573E+00
    -8.63619597E-02    -1.40999575E-01     2.75220766E-01    -1.45191363E-01
     2.55595273E-02    -5.84666444E-02    -2.45349314E-01     4.34337268E-01
    -2.19886294E-01     3.51038024E-02 BP  6.61071250E+00     3.76448304E-05
    -1.45817753E-05    -5.85854419E-05     2.27477086E-05     3.44348717E-06
    -1.34775017E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69402072E+00     6.23914053E-03    -1.75455647E-03     4.42050189E-03
    -7.11291574E-03     4.93766273E-03    -1.71254346E-03     3.08741790E-04
    -2.39887553E-05     9.23725620E-03     4.06192761E-03    -1.12665668E-02
     1.44161776E-02    -1.04762016E-02     4.33542987E-03    -9.34815438E-04
     8.19514762E-05 JX  3.49430432E+00    -2.51701048E-02     3.72770779E-03
     2.38157864E-02    -3.17632199E-02     1.48008973E-02    -2.27408388E-03
 Jf  3.12716643E+00    -3.15508007E-05     3.10514261E-04    -1.45083593E-04
    -1.50983348E-03     1.02352992E-04     5.01245854E-05    -5.94267454E-04
     5.85326852E-04    -1.23039398E-04    -2.07915058E-04     1.95141499E-04
    -2.12227179E-04    -1.01933171E-03     3.58435599E-04     2.00393296E-04
    -3.46186273E-05    -4.76525644E-05    -3.68411593E-06     1.60666884E-04
    -1.73107052E-04     4.55829014E-04    -8.81013232E-05    -2.65827780E-05
     1.54215335E-04    -3.54588238E-05     2.18465549E-05    -5.12308678E-05
    -2.77405811E-03     2.29571349E-03     3.17356139E-03    -2.16575695E-03
     7.65610593E-04     3.29926759E-03     2.64661378E-03    -6.63811311E-04
    -1.63903627E-04     1.58939481E-03    -1.57550176E-03    -8.22662365E-04
     8.05187250E-04    -1.14049733E-03     3.70557053E-04    -2.37840780E-04
     1.02306033E-03    -1.26178829E-03     2.68409602E-04     2.73266057E-03
    -9.71526865E-04     1.51289015E-05     6.54306876E-04    -1.35898657E-04
     5.92342388E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.666475E+00 ->   1.666387E+00
           Unreweighted mean energy (a.u.)  :  -1.138355E+02 ->  -1.138355E+02


 Writing parameters to correlation.out.13.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 31
 NL2SOL iteration     : 8

 Current parameters:
 Be  8.64275872E-01     8.76372256E-03    -2.51227983E-01    -7.77407412E-01
     6.31168321E+00    -8.00290844E+00    -1.03524138E+01     2.81070214E+01
    -1.56049649E+01     1.70486083E+00     9.43967269E-04    -5.91878383E-03
     2.15529290E-02    -6.75983499E-02     1.39632965E-01    -1.62660550E-01
     1.00608406E-01    -2.95419144E-02     2.94357279E-03 Bm  2.24600968E+00
    -8.63620344E-02    -1.40999084E-01     2.75218704E-01    -1.45190142E-01
     2.55592302E-02    -5.84663222E-02    -2.45347900E-01     4.34334275E-01
    -2.19884322E-01     3.51034501E-02 BP  6.61071106E+00     3.76448554E-05
    -1.45817879E-05    -5.85854925E-05     2.27477337E-05     3.44349113E-06
    -1.34775185E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69402077E+00     6.23914239E-03    -1.75455729E-03     4.42050184E-03
    -7.11291562E-03     4.93766283E-03    -1.71254342E-03     3.08741800E-04
    -2.39887552E-05     9.23725600E-03     4.06192828E-03    -1.12665662E-02
     1.44161779E-02    -1.04762014E-02     4.33542993E-03    -9.34815410E-04
     8.19514895E-05 JX  3.49430427E+00    -2.51701039E-02     3.72770951E-03
     2.38157875E-02    -3.17632196E-02     1.48008973E-02    -2.27408390E-03
 Jf  3.12716636E+00    -3.15508079E-05     3.10514200E-04    -1.45083630E-04
    -1.50983356E-03     1.02352952E-04     5.01245256E-05    -5.94267540E-04
     5.85326834E-04    -1.23039055E-04    -2.07915006E-04     1.95141476E-04
    -2.12227210E-04    -1.01933171E-03     3.58435597E-04     2.00393289E-04
    -3.46186289E-05    -4.76525657E-05    -3.68404791E-06     1.60666869E-04
    -1.73107068E-04     4.55829012E-04    -8.81013252E-05    -2.65827785E-05
     1.54215334E-04    -3.54588237E-05     2.18465551E-05    -5.12308705E-05
    -2.77405815E-03     2.29571345E-03     3.17356129E-03    -2.16575700E-03
     7.65610522E-04     3.29926755E-03     2.64661376E-03    -6.63811378E-04
    -1.63903684E-04     1.58939478E-03    -1.57550180E-03    -8.22662390E-04
     8.05187245E-04    -1.14049736E-03     3.70557045E-04    -2.37840788E-04
     1.02306029E-03    -1.26178831E-03     2.68409573E-04     2.73266054E-03
    -9.71526870E-04     1.51289001E-05     6.54306865E-04    -1.35898659E-04
     5.92342367E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.666387E+00 ->   1.666385E+00
           Unreweighted mean energy (a.u.)  :  -1.138355E+02 ->  -1.138355E+02


 Writing parameters to correlation.out.13.

 Current parameters:
 Be  8.64276602E-01     8.76373439E-03    -2.51227446E-01    -7.77405242E-01
     6.31166226E+00    -8.00287401E+00    -1.03523603E+01     2.81068567E+01
    -1.56048575E+01     1.70486083E+00     9.43972372E-04    -5.91878281E-03
     2.15529270E-02    -6.75983512E-02     1.39632965E-01    -1.62660548E-01
     1.00608408E-01    -2.95419121E-02     2.94357495E-03 Bm  2.24602158E+00
    -8.63622565E-02    -1.40997604E-01     2.75212503E-01    -1.45186468E-01
     2.55583365E-02    -5.84653547E-02    -2.45343648E-01     4.34325273E-01
    -2.19878389E-01     3.51023901E-02 BP  6.61070674E+00     3.76449304E-05
    -1.45818255E-05    -5.85856438E-05     2.27478086E-05     3.44350298E-06
    -1.34775689E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69402093E+00     6.23914783E-03    -1.75455988E-03     4.42050164E-03
    -7.11291526E-03     4.93766313E-03    -1.71254330E-03     3.08741829E-04
    -2.39887550E-05     9.23725527E-03     4.06193017E-03    -1.12665646E-02
     1.44161787E-02    -1.04762011E-02     4.33543010E-03    -9.34815327E-04
     8.19515292E-05 JX  3.49430415E+00    -2.51701016E-02     3.72771435E-03
     2.38157903E-02    -3.17632191E-02     1.48008973E-02    -2.27408395E-03
 Jf  3.12716616E+00    -3.15508198E-05     3.10514028E-04    -1.45083737E-04
    -1.50983378E-03     1.02352838E-04     5.01243562E-05    -5.94267786E-04
     5.85326781E-04    -1.23038031E-04    -2.07914847E-04     1.95141409E-04
    -2.12227299E-04    -1.01933172E-03     3.58435590E-04     2.00393271E-04
    -3.46186322E-05    -4.76525682E-05    -3.68384650E-06     1.60666826E-04
    -1.73107113E-04     4.55829009E-04    -8.81013304E-05    -2.65827796E-05
     1.54215334E-04    -3.54588229E-05     2.18465563E-05    -5.12308738E-05
    -2.77405825E-03     2.29571335E-03     3.17356102E-03    -2.16575713E-03
     7.65610319E-04     3.29926744E-03     2.64661372E-03    -6.63811583E-04
    -1.63903849E-04     1.58939467E-03    -1.57550192E-03    -8.22662460E-04
     8.05187230E-04    -1.14049745E-03     3.70557022E-04    -2.37840813E-04
     1.02306016E-03    -1.26178838E-03     2.68409487E-04     2.73266047E-03
    -9.71526885E-04     1.51288960E-05     6.54306835E-04    -1.35898665E-04
     5.92342310E-05

 Rejected step:
 Variance  :   1.666385E+00 ->   1.666394E+00
 Energy    :  -1.138355E+02 ->  -1.138355E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 33
 NL2SOL iteration     : 9

 Current parameters:
 Be  8.64277834E-01     8.76372275E-03    -2.51226830E-01    -7.77402050E-01
     6.31162880E+00    -8.00281397E+00    -1.03522678E+01     2.81066058E+01
    -1.56046732E+01     1.70486084E+00     9.43967288E-04    -5.91878374E-03
     2.15529288E-02    -6.75983512E-02     1.39632956E-01    -1.62660547E-01
     1.00608411E-01    -2.95419120E-02     2.94357278E-03 Bm  2.24601001E+00
    -8.63620080E-02    -1.40999021E-01     2.75218536E-01    -1.45190040E-01
     2.55592076E-02    -5.84663037E-02    -2.45347787E-01     4.34334042E-01
    -2.19884150E-01     3.51034202E-02 BP  6.61071108E+00     3.76448581E-05
    -1.45817865E-05    -5.85854854E-05     2.27477357E-05     3.44349116E-06
    -1.34775179E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69401986E+00     6.23928653E-03    -1.75456762E-03     4.42037116E-03
    -7.11276555E-03     4.93795235E-03    -1.71248928E-03     3.08728381E-04
    -2.39889277E-05     9.23737540E-03     4.06210844E-03    -1.12658036E-02
     1.44162451E-02    -1.04765573E-02     4.33524639E-03    -9.34821354E-04
     8.19663853E-05 JX  3.49453575E+00    -2.51686311E-02     3.72791207E-03
     2.38166128E-02    -3.17640718E-02     1.48000442E-02    -2.27416576E-03
 Jf  3.12708593E+00    -3.15370137E-05     3.10537016E-04    -1.45075716E-04
    -1.50962287E-03     1.02360483E-04     5.01330939E-05    -5.94195901E-04
     5.85429895E-04    -1.23022539E-04    -2.07907717E-04     1.95145392E-04
    -2.12212710E-04    -1.01930070E-03     3.58441231E-04     2.00420841E-04
    -3.46152324E-05    -4.76485575E-05    -3.68195507E-06     1.60661250E-04
    -1.73115593E-04     4.55819218E-04    -8.80963780E-05    -2.65813113E-05
     1.54238321E-04    -3.54544169E-05     2.18482148E-05    -5.12231446E-05
    -2.77387795E-03     2.29566281E-03     3.17377668E-03    -2.16576575E-03
     7.65608754E-04     3.29948611E-03     2.64665321E-03    -6.63808267E-04
    -1.63893199E-04     1.58940540E-03    -1.57550517E-03    -8.22611313E-04
     8.05214172E-04    -1.14047280E-03     3.70567479E-04    -2.37834171E-04
     1.02306370E-03    -1.26179067E-03     2.68431684E-04     2.73273322E-03
    -9.71508927E-04     1.51304867E-05     6.54310288E-04    -1.35893753E-04
     5.92373161E-05

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 9
 Function evaluations : 42
 Variance reduced to  : 0.16663851E+01

 Writing parameters to correlation.out.13.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 14
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m12s remaining]
  DTVMC #1:   1.4462E-01 (optimized)
  DTVMC #2:   1.1782E-01 (optimized)
 Done. [total CPU time: 5m8s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.7322
 Acceptance ratio #2 <level 1>        (%)  =  51.5812
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9850
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8428
 Diffusion constant #1           (Bohr^2)  = 1.1000E-02
 Diffusion constant #2           (Bohr^2)  = 8.9971E-03
 Correlation time                 (steps)  = 2.9770E+00 +- 3.0437E-01
 Efficiency                  (au^-2 s^-1)  = 2.1238E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.829473053946
  Standard error                        +/-           0.017136609782

  Kinetic energy KEI (used in Total) (au) =         114.908819196020
  Standard error                        +/-           0.920414676581

  Kinetic energy TI                  (au) =         113.644443622948
  Standard error                        +/-           0.503883081867

  Kinetic energy FISQ                (au) =         112.380068049877
  Standard error                        +/-           0.454351077811

  Potential energy                   (au) =        -270.629878731806
  Standard error                        +/-           0.921618920725

  e-e interaction                    (au) =          78.149057535620
  Standard error                        +/-           0.082325714491

  e-n interaction                    (au) =        -348.778936267426
  Standard error                        +/-           0.931529101951

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.584176295923
  Standard error                        +/-           0.185616524427

  Maximum distance from origin       (au) =           8.339946561984

  Particles affected per move       (%) :  99.9909


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.7941
 Acceptance ratio #2 <level 1>        (%)  =  51.4701
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1188
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8328
 Diffusion constant #1           (Bohr^2)  = 1.0990E-02
 Diffusion constant #2           (Bohr^2)  = 8.7534E-03
 Correlation time                 (steps)  = 4.5821E+00 +- 6.3105E-01
 Efficiency                  (au^-2 s^-1)  = 1.5377E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.863903876220
  Standard error                        +/-           0.016749128250

  Kinetic energy KEI (used in Total) (au) =         120.713566083503
  Standard error                        +/-           1.628080349204

  Kinetic energy TI                  (au) =         116.973619748268
  Standard error                        +/-           0.861387411272

  Kinetic energy FISQ                (au) =         113.233673413033
  Standard error                        +/-           0.692978760621

  Potential energy                   (au) =        -276.469056441563
  Standard error                        +/-           1.630111618334

  e-e interaction                    (au) =          78.584789520032
  Standard error                        +/-           0.109555512743

  e-n interaction                    (au) =        -355.053845961595
  Standard error                        +/-           1.689585620466

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.421517790041
  Standard error                        +/-           0.105468222958

  Maximum distance from origin       (au) =           8.316798549586

  Particles affected per move       (%) :  99.9960


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.5515
 Acceptance ratio #2 <level 1>        (%)  =  52.1603
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8632
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.4356
 Diffusion constant #1           (Bohr^2)  = 1.1002E-02
 Diffusion constant #2           (Bohr^2)  = 9.3373E-03
 Correlation time                 (steps)  = 4.0077E+00 +- 5.2661E-01
 Efficiency                  (au^-2 s^-1)  = 1.3529E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.832849719324
  Standard error                        +/-           0.017785760687

  Kinetic energy KEI (used in Total) (au) =         107.582583258952
  Standard error                        +/-           0.724515019852

  Kinetic energy TI                  (au) =         109.765285668117
  Standard error                        +/-           0.443511009795

  Kinetic energy FISQ                (au) =         111.947988077282
  Standard error                        +/-           0.485136192479

  Potential energy                   (au) =        -263.307019460117
  Standard error                        +/-           0.726272536845

  e-e interaction                    (au) =          78.304066258418
  Standard error                        +/-           0.117500426415

  e-n interaction                    (au) =        -341.611085718535
  Standard error                        +/-           0.719259084368

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.539376682688
  Standard error                        +/-           0.128326992196

  Maximum distance from origin       (au) =           6.922697044578

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.5915
 Acceptance ratio #2 <level 1>        (%)  =  51.3017
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8293
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.5370
 Diffusion constant #1           (Bohr^2)  = 1.1077E-02
 Diffusion constant #2           (Bohr^2)  = 9.0717E-03
 Correlation time                 (steps)  = 3.5452E+00 +- 3.7870E-01
 Efficiency                  (au^-2 s^-1)  = 1.7649E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.862529998781
  Standard error                        +/-           0.018229523203

  Kinetic energy KEI (used in Total) (au) =         110.480312689005
  Standard error                        +/-           0.776616231126

  Kinetic energy TI                  (au) =         114.952214450232
  Standard error                        +/-           2.493138848775

  Kinetic energy FISQ                (au) =         119.424116211458
  Standard error                        +/-           4.935416934591

  Potential energy                   (au) =        -266.234429169627
  Standard error                        +/-           0.778855130727

  e-e interaction                    (au) =          79.046615757287
  Standard error                        +/-           0.130035928171

  e-n interaction                    (au) =        -345.281044926913
  Standard error                        +/-           0.799135794466

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.600797646271
  Standard error                        +/-           0.243911271374

  Maximum distance from origin       (au) =           6.826386711448

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.4886
 Acceptance ratio #2 <level 1>        (%)  =  51.7722
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7384
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0924
 Diffusion constant #1           (Bohr^2)  = 1.1119E-02
 Diffusion constant #2           (Bohr^2)  = 9.2805E-03
 Correlation time                 (steps)  = 3.2542E+00 +- 3.4507E-01
 Efficiency                  (au^-2 s^-1)  = 1.6943E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.827397130472
  Standard error                        +/-           0.017330414095

  Kinetic energy KEI (used in Total) (au) =         121.156458831703
  Standard error                        +/-           0.912041118644

  Kinetic energy TI                  (au) =         117.132645346509
  Standard error                        +/-           0.536608609456

  Kinetic energy FISQ                (au) =         113.108831861315
  Standard error                        +/-           0.613977921239

  Potential energy                   (au) =        -276.875442444015
  Standard error                        +/-           0.911263321332

  e-e interaction                    (au) =          78.052491885199
  Standard error                        +/-           0.100093301616

  e-n interaction                    (au) =        -354.927934329215
  Standard error                        +/-           0.938401258489

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.513843436067
  Standard error                        +/-           0.118781571267

  Maximum distance from origin       (au) =           7.697547920370

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.8790
 Acceptance ratio #2 <level 1>        (%)  =  51.5288
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2496
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8353
 Diffusion constant #1           (Bohr^2)  = 1.1321E-02
 Diffusion constant #2           (Bohr^2)  = 8.9712E-03
 Correlation time                 (steps)  = 4.1604E+00 +- 5.3927E-01
 Efficiency                  (au^-2 s^-1)  = 1.6798E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.788495711150
  Standard error                        +/-           0.017985745160

  Kinetic energy KEI (used in Total) (au) =         107.414238129047
  Standard error                        +/-           0.920789635376

  Kinetic energy TI                  (au) =         110.367494526601
  Standard error                        +/-           0.522597039313

  Kinetic energy FISQ                (au) =         113.320750924156
  Standard error                        +/-           0.527093021997

  Potential energy                   (au) =        -263.094320322038
  Standard error                        +/-           0.919307494061

  e-e interaction                    (au) =          77.849000873425
  Standard error                        +/-           0.089036517834

  e-n interaction                    (au) =        -340.943321195463
  Standard error                        +/-           0.944919463246

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.433181681856
  Standard error                        +/-           0.075469674752

  Maximum distance from origin       (au) =           7.496919216291

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.8740
 Acceptance ratio #2 <level 1>        (%)  =  51.7272
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1448
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9002
 Diffusion constant #1           (Bohr^2)  = 1.0859E-02
 Diffusion constant #2           (Bohr^2)  = 9.1878E-03
 Correlation time                 (steps)  = 4.1251E+00 +- 5.7671E-01
 Efficiency                  (au^-2 s^-1)  = 1.8477E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.800679557100
  Standard error                        +/-           0.015606311409

  Kinetic energy KEI (used in Total) (au) =         114.377110471460
  Standard error                        +/-           1.280959271082

  Kinetic energy TI                  (au) =         114.181064844792
  Standard error                        +/-           0.746333320156

  Kinetic energy FISQ                (au) =         113.985019218124
  Standard error                        +/-           0.584970226283

  Potential energy                   (au) =        -270.069376510400
  Standard error                        +/-           1.278418573131

  e-e interaction                    (au) =          77.973360321661
  Standard error                        +/-           0.088312038668

  e-n interaction                    (au) =        -348.042736832061
  Standard error                        +/-           1.289590861927

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.314067113041
  Standard error                        +/-           0.061839425666

  Maximum distance from origin       (au) =           7.394647450995

  Particles affected per move       (%) :  99.9999


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.7522
 Acceptance ratio #2 <level 1>        (%)  =  51.9369
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0729
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1597
 Diffusion constant #1           (Bohr^2)  = 1.0902E-02
 Diffusion constant #2           (Bohr^2)  = 9.0774E-03
 Correlation time                 (steps)  = 3.3768E+00 +- 3.6159E-01
 Efficiency                  (au^-2 s^-1)  = 1.6748E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.855174119528
  Standard error                        +/-           0.017685367498

  Kinetic energy KEI (used in Total) (au) =         115.061622817393
  Standard error                        +/-           1.106326417205

  Kinetic energy TI                  (au) =         113.750150354778
  Standard error                        +/-           0.672841153832

  Kinetic energy FISQ                (au) =         112.438677892163
  Standard error                        +/-           0.784983732381

  Potential energy                   (au) =        -270.808383418762
  Standard error                        +/-           1.105539942008

  e-e interaction                    (au) =          77.890577983298
  Standard error                        +/-           0.098169938233

  e-n interaction                    (au) =        -348.698961402059
  Standard error                        +/-           1.130088417597

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.475886364208
  Standard error                        +/-           0.135178871203

  Maximum distance from origin       (au) =           7.458566278344

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.6274
 Acceptance ratio #2 <level 1>        (%)  =  51.9968
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9651
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2758
 Diffusion constant #1           (Bohr^2)  = 1.0727E-02
 Diffusion constant #2           (Bohr^2)  = 9.2186E-03
 Correlation time                 (steps)  = 3.8770E+00 +- 4.9108E-01
 Efficiency                  (au^-2 s^-1)  = 1.7398E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.872638626679
  Standard error                        +/-           0.018733114767

  Kinetic energy KEI (used in Total) (au) =         121.036484264925
  Standard error                        +/-           1.055588263723

  Kinetic energy TI                  (au) =         117.593141346649
  Standard error                        +/-           1.084668628567

  Kinetic energy FISQ                (au) =         114.149798428373
  Standard error                        +/-           1.903628549705

  Potential energy                   (au) =        -276.800709373445
  Standard error                        +/-           1.058531177265

  e-e interaction                    (au) =          78.236762954634
  Standard error                        +/-           0.099057508730

  e-n interaction                    (au) =        -355.037472328079
  Standard error                        +/-           1.093780316029

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.484962998488
  Standard error                        +/-           0.114891022894

  Maximum distance from origin       (au) =           9.141859692376

  Particles affected per move       (%) :  99.9953


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.7831
 Acceptance ratio #2 <level 1>        (%)  =  51.5251
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1647
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7641
 Diffusion constant #1           (Bohr^2)  = 1.0808E-02
 Diffusion constant #2           (Bohr^2)  = 8.8808E-03
 Correlation time                 (steps)  = 3.1697E+00 +- 3.3876E-01
 Efficiency                  (au^-2 s^-1)  = 1.5886E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.850975345515
  Standard error                        +/-           0.018313422730

  Kinetic energy KEI (used in Total) (au) =         117.480058753526
  Standard error                        +/-           1.131806697115

  Kinetic energy TI                  (au) =         115.521208096889
  Standard error                        +/-           0.871427277480

  Kinetic energy FISQ                (au) =         113.562357440251
  Standard error                        +/-           1.177066185476

  Potential energy                   (au) =        -273.222620580882
  Standard error                        +/-           1.130085015046

  e-e interaction                    (au) =          78.225591241185
  Standard error                        +/-           0.082705014871

  e-n interaction                    (au) =        -351.448211822067
  Standard error                        +/-           1.153117057837

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.657637514670
  Standard error                        +/-           0.211421169996

  Maximum distance from origin       (au) =           8.822753008601

  Particles affected per move       (%) :  99.9790


 Time taken in block    : : :        6.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.838411713872 +/- 0.005558917569      No correction
 -113.838411713872 +/- 0.010703661662      Correlation time method
 -113.838411713872 +/- 0.008786567485      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.838411713872 +/-       0.008786567485
    stderr:      0.008786567485 +/-       0.000897652331
    errfac:      1.577410182101 +/-       0.161151203691
    N_corr:      2.488222882597 +/-       0.508403099121
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.570249E-03   7.041365E-05
            2   6.567328E-03   1.174236E-04
            4   7.622749E-03   1.928111E-04
            8   8.572762E-03   3.068558E-04
           16   8.591373E-03   4.354600E-04
           32   9.252346E-03   6.649227E-04
           64   8.786567E-03   8.976523E-04  *** BEST ***
          128   8.144767E-03   1.189223E-03
          256   9.359673E-03   1.975251E-03
          512   1.182580E-02   3.697989E-03
         1024   1.614361E-02   7.959879E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.502544752325 +- 0.031583323440

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 14
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  8.64275872E-01     8.76372256E-03    -2.51227983E-01    -7.77407412E-01
     6.31168321E+00    -8.00290844E+00    -1.03524138E+01     2.81070214E+01
    -1.56049649E+01     1.70486083E+00     9.43967269E-04    -5.91878383E-03
     2.15529290E-02    -6.75983499E-02     1.39632965E-01    -1.62660550E-01
     1.00608406E-01    -2.95419144E-02     2.94357279E-03 Bm  2.24600968E+00
    -8.63620344E-02    -1.40999084E-01     2.75218704E-01    -1.45190142E-01
     2.55592302E-02    -5.84663222E-02    -2.45347900E-01     4.34334275E-01
    -2.19884322E-01     3.51034501E-02 BP  6.61071106E+00     3.76448554E-05
    -1.45817879E-05    -5.85854925E-05     2.27477337E-05     3.44349113E-06
    -1.34775185E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69402077E+00     6.23914239E-03    -1.75455729E-03     4.42050184E-03
    -7.11291562E-03     4.93766283E-03    -1.71254342E-03     3.08741800E-04
    -2.39887552E-05     9.23725600E-03     4.06192828E-03    -1.12665662E-02
     1.44161779E-02    -1.04762014E-02     4.33542993E-03    -9.34815410E-04
     8.19514895E-05 JX  3.49430427E+00    -2.51701039E-02     3.72770951E-03
     2.38157875E-02    -3.17632196E-02     1.48008973E-02    -2.27408390E-03
 Jf  3.12716636E+00    -3.15508079E-05     3.10514200E-04    -1.45083630E-04
    -1.50983356E-03     1.02352952E-04     5.01245256E-05    -5.94267540E-04
     5.85326834E-04    -1.23039055E-04    -2.07915006E-04     1.95141476E-04
    -2.12227210E-04    -1.01933171E-03     3.58435597E-04     2.00393289E-04
    -3.46186289E-05    -4.76525657E-05    -3.68404791E-06     1.60666869E-04
    -1.73107068E-04     4.55829012E-04    -8.81013252E-05    -2.65827785E-05
     1.54215334E-04    -3.54588237E-05     2.18465551E-05    -5.12308705E-05
    -2.77405815E-03     2.29571345E-03     3.17356129E-03    -2.16575700E-03
     7.65610522E-04     3.29926755E-03     2.64661376E-03    -6.63811378E-04
    -1.63903684E-04     1.58939478E-03    -1.57550180E-03    -8.22662390E-04
     8.05187245E-04    -1.14049736E-03     3.70557045E-04    -2.37840788E-04
     1.02306029E-03    -1.26178831E-03     2.68409573E-04     2.73266054E-03
    -9.71526870E-04     1.51289001E-05     6.54306865E-04    -1.35898659E-04
     5.92342367E-05

    Unreweighted variance of energy (a.u.)  :   1.556531E+00
           Unreweighted mean energy (a.u.)  :  -1.138407E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m11s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  8.67487506E-01    -6.33827663E-03     4.60849095E-01    -2.31318790E+00
     4.82682936E+00    -2.36225009E+00    -7.31981455E+00     1.23727137E+01
    -5.82168078E+00     1.43435678E+00     2.41703332E-03    -2.01494023E-02
     7.17850576E-02    -1.61366254E-01     2.71249751E-01    -3.39443791E-01
     2.89040310E-01    -1.47778096E-01     3.40762227E-02 Bm  2.24737819E+00
     1.25848069E-02    -4.11147264E-01     6.12721168E-01    -3.00506414E-01
     4.71544309E-02    -1.88235158E-02    -3.49861937E-01     5.94038606E-01
    -3.25937540E-01     5.90294307E-02 BP  9.06734510E+00     8.86951868E-06
    -3.94970882E-06    -1.60180007E-05     6.11381402E-06     2.15495061E-07
    -1.17636370E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.74412609E+00     5.19100202E-03     2.30241704E-03    -5.15201429E-03
     3.25274198E-03    -3.26160388E-04    -4.80672967E-04     2.06155957E-04
    -2.52215336E-05     8.72602294E-03     2.84602385E-03    -8.09408217E-03
     1.24387967E-02    -1.08328028E-02     5.10059872E-03    -1.20552284E-03
     1.12788308E-04 JX  3.52309653E+00    -2.16614287E-02     1.86602683E-03
     2.07876721E-02    -2.46975295E-02     1.12735037E-02    -1.77127688E-03
 Jf  3.07188974E+00    -8.45685309E-05    -1.68537594E-04    -2.49937579E-04
    -8.26649311E-04     3.03770817E-04    -1.56184514E-04     7.03701153E-04
    -2.41402989E-04     4.32224170E-05    -5.31781392E-04     8.27093801E-04
    -9.91775933E-04    -4.20666990E-04     7.78579997E-06     1.27528229E-04
     8.93889569E-06     1.16172262E-05    -4.52270226E-05     2.86492758E-04
    -3.56368601E-04     4.95308701E-04    -1.64023467E-04     3.56151025E-05
     2.25274997E-04    -6.17525086E-05     1.41513776E-05    -3.17117384E-05
    -2.82425129E-03     2.27201069E-03     3.39860994E-03    -2.08301535E-03
     6.57880095E-04     3.28877560E-03     2.29071307E-03    -7.67699994E-04
    -1.85080579E-04     1.43455945E-03    -9.99651991E-04    -7.49574692E-04
     6.15512354E-04    -9.09172866E-04     3.73196090E-04    -2.05355316E-04
     1.22832259E-03    -1.44963530E-03     4.13106169E-04     2.40364391E-03
    -7.49572399E-04     9.72583742E-06     3.88672141E-04    -1.01303815E-04
     4.99554364E-05

 Rejected step:
 Variance  :   1.556531E+00 ->   3.760535E+01
 Energy    :  -1.138407E+02 ->  -1.138693E+02

 Current parameters:
 Be  8.73662959E-01     1.79799855E-03    -5.33285141E-02    -1.01367650E+00
     5.86744688E+00    -7.34721351E+00    -9.37031255E+00     2.59046073E+01
    -1.44944420E+01     1.47735803E+00     1.60036411E-03    -1.03246640E-02
     3.35471763E-02    -1.03602283E-01     2.46050076E-01    -3.33900958E-01
     2.36883311E-01    -8.09192596E-02     1.05010203E-02 Bm  2.22944321E+00
    -3.90108756E-02    -2.28547590E-01     3.73367664E-01    -1.71248927E-01
     2.26340684E-02    -6.13577410E-02    -2.15096471E-01     4.31838769E-01
    -2.43858011E-01     4.45314943E-02 BP  6.56228117E+00     3.80343055E-05
    -1.46477288E-05    -6.17981151E-05     2.36754048E-05     3.37722761E-06
    -1.25019425E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.75844554E+00     5.39838740E-03    -1.58806216E-03     4.67699130E-03
    -7.17632457E-03     4.96355615E-03    -1.71488067E-03     2.99399850E-04
    -2.14386445E-05     8.56816255E-03     3.85849680E-03    -1.04164182E-02
     1.37216647E-02    -1.03806460E-02     4.41251206E-03    -9.62685266E-04
     8.38496147E-05 JX  3.49872816E+00    -2.23289196E-02     2.32178807E-03
     2.44500582E-02    -3.14682269E-02     1.47986254E-02    -2.34789682E-03
 Jf  3.05989733E+00    -6.92152740E-05     1.80774814E-04    -8.19240013E-05
    -1.48779933E-03     1.95971706E-04    -4.91043132E-05    -3.36836574E-04
     5.65183657E-04    -1.38586930E-04    -2.16712876E-04     2.34542029E-04
    -2.89001424E-04    -9.62993842E-04     3.31379280E-04     1.93235853E-04
    -4.91993713E-05    -1.66849453E-05     3.33418920E-05     1.36490704E-04
    -1.71479085E-04     4.97447525E-04    -9.62399075E-05    -2.21287979E-05
     1.54315217E-04    -3.33391534E-05     1.57135906E-05    -3.68256983E-05
    -2.87310509E-03     2.40507944E-03     3.24041886E-03    -2.17335013E-03
     7.09153755E-04     3.40966785E-03     2.71298609E-03    -7.13333296E-04
    -2.01171623E-04     1.58121074E-03    -1.55531941E-03    -7.77869971E-04
     7.85384701E-04    -1.13311919E-03     3.65620955E-04    -2.17672364E-04
     1.10099790E-03    -1.31613053E-03     3.02624256E-04     2.75020229E-03
    -9.71602075E-04     2.01804988E-05     6.36902878E-04    -1.39614358E-04
     5.96786883E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.556531E+00 ->   1.460787E+00
           Unreweighted mean energy (a.u.)  :  -1.138407E+02 ->  -1.138404E+02


 Writing parameters to correlation.out.14.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  8.80168507E-01    -1.47910340E-04     5.60817834E-02    -1.28318289E+00
     5.74167384E+00    -6.59872391E+00    -8.90988670E+00     2.36067656E+01
    -1.30467839E+01     1.50641796E+00     1.98847276E-03    -1.26790419E-02
     3.71811071E-02    -9.94739369E-02     2.24851370E-01    -3.02534915E-01
     2.12638930E-01    -6.98065079E-02     7.80255539E-03 Bm  2.19109169E+00
    -2.76387358E-02    -2.86101272E-01     4.31006475E-01    -1.87928063E-01
     2.35648799E-02    -5.72438416E-02    -2.67452843E-01     5.11062419E-01
    -2.86814888E-01     5.23663915E-02 BP  6.51819115E+00     3.84739120E-05
    -1.47806168E-05    -6.43873741E-05     2.45975259E-05     3.29768311E-06
    -1.20769363E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67729551E+00     5.71847392E-03    -1.28401435E-03     4.24213468E-03
    -6.99192140E-03     4.96135152E-03    -1.73370905E-03     3.03683552E-04
    -2.15082979E-05     9.18084395E-03     3.58902663E-03    -9.81272108E-03
     1.32352816E-02    -1.02757552E-02     4.47153243E-03    -9.98775919E-04
     8.95337895E-05 JX  3.49287772E+00    -2.29162492E-02     2.28309012E-03
     2.48850438E-02    -3.14562053E-02     1.45352000E-02    -2.26875921E-03
 Jf  3.06718028E+00    -8.94517474E-05     7.36513474E-05    -6.71931997E-05
    -1.52184199E-03     3.18663041E-04    -1.49693995E-04    -5.08869891E-05
     5.25464719E-04    -1.18856679E-04    -2.62404386E-04     3.62408625E-04
    -3.99125334E-04    -8.33547428E-04     2.88019252E-04     1.47400755E-04
    -7.84808836E-05     2.42726633E-05     6.31044278E-05     9.19416954E-05
    -1.71525975E-04     5.31386372E-04    -1.10974522E-04    -1.62561944E-05
     1.50968805E-04    -2.21044039E-05     4.20805730E-06    -3.27790059E-05
    -2.90936329E-03     2.47622401E-03     3.36765303E-03    -2.25408092E-03
     7.52044865E-04     3.42429130E-03     2.75424821E-03    -7.42100314E-04
    -2.00460931E-04     1.56651282E-03    -1.42625234E-03    -7.24878118E-04
     7.66403934E-04    -1.14572280E-03     3.78354552E-04    -2.25447780E-04
     1.17014724E-03    -1.39688501E-03     3.47594691E-04     2.74141952E-03
    -9.64961384E-04     2.18326937E-05     6.11259084E-04    -1.37269814E-04
     6.04258746E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.460787E+00 ->   1.452781E+00
           Unreweighted mean energy (a.u.)  :  -1.138404E+02 ->  -1.138392E+02


 Writing parameters to correlation.out.14.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 3

 Current parameters:
 Be  8.85994962E-01    -1.21378692E-03     1.38217375E-01    -1.53793335E+00
     5.70908542E+00    -5.85297621E+00    -8.63729487E+00     2.12737311E+01
    -1.14461797E+01     1.52874210E+00     2.05970645E-03    -1.35011650E-02
     3.91819729E-02    -9.73974445E-02     2.10539499E-01    -2.80056364E-01
     1.95693181E-01    -6.32331236E-02     6.68149388E-03 Bm  2.16106912E+00
    -1.04632361E-02    -3.58408478E-01     5.68841453E-01    -2.90149776E-01
     4.96353306E-02    -3.83732891E-02    -3.22387391E-01     5.76030688E-01
    -3.18693881E-01     5.76138575E-02 BP  6.52608163E+00     3.79368799E-05
    -1.45672807E-05    -6.44453904E-05     2.45993966E-05     3.13564315E-06
    -1.14170893E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70325964E+00     5.50167258E-03    -1.06989849E-03     3.77255271E-03
    -6.56031321E-03     4.87160641E-03    -1.77830967E-03     3.23136410E-04
    -2.33433256E-05     8.97482288E-03     3.27041013E-03    -9.04730888E-03
     1.26733475E-02    -1.01900692E-02     4.54824595E-03    -1.03559980E-03
     9.43299442E-05 JX  3.49956013E+00    -2.24728317E-02     2.22229253E-03
     2.43552735E-02    -3.04940948E-02     1.40161465E-02    -2.18253637E-03
 Jf  3.06476635E+00    -9.49067681E-05     1.22993632E-05    -6.17882409E-05
    -1.52790283E-03     3.85888321E-04    -1.96809198E-04     1.09254465E-04
     4.81681094E-04    -1.05670680E-04    -3.09329893E-04     4.46859651E-04
    -4.66107394E-04    -7.37013742E-04     2.51290033E-04     1.41068482E-04
    -1.01363297E-04     5.19755902E-05     8.28363431E-05     8.01862426E-05
    -1.81734726E-04     5.47382286E-04    -1.26614171E-04    -9.15536683E-06
     1.44630332E-04    -1.37675108E-05    -3.76429048E-06    -3.25613631E-05
    -2.93740712E-03     2.51900294E-03     3.46153404E-03    -2.30258573E-03
     7.63917353E-04     3.43336311E-03     2.77494431E-03    -7.62870929E-04
    -1.86414512E-04     1.54893831E-03    -1.33625202E-03    -7.17004995E-04
     7.57688477E-04    -1.16227002E-03     3.95875484E-04    -2.30944518E-04
     1.21031553E-03    -1.45286072E-03     3.84168706E-04     2.73002783E-03
    -9.50354307E-04     2.05972348E-05     5.85346237E-04    -1.35175495E-04
     6.06326878E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.452781E+00 ->   1.441521E+00
           Unreweighted mean energy (a.u.)  :  -1.138392E+02 ->  -1.138410E+02


 Writing parameters to correlation.out.14.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 6
 NL2SOL iteration     : 4

 Current parameters:
 Be  9.10858160E-01    -1.89489266E-03     1.74729566E-01    -1.54437363E+00
     5.14818420E+00    -4.87767000E+00    -7.31980279E+00     1.70625280E+01
    -8.87568955E+00     1.78317660E+00     1.94290229E-03    -1.28592556E-02
     3.38367803E-02    -6.41520155E-02     1.10582309E-01    -1.29404714E-01
     7.96527138E-02    -2.04899028E-02     9.14303475E-04 Bm  2.31628530E+00
    -3.63989816E-02    -2.44465903E-01     4.55000414E-01    -2.46036859E-01
     4.52122808E-02    -4.80108011E-02    -2.73448485E-01     5.20727449E-01
    -2.96287617E-01     5.51770182E-02 BP  5.71118074E+00     6.05647896E-05
    -2.37161358E-05    -1.14303093E-04     4.50303232E-05     6.49327200E-06
    -2.73636161E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.72221205E+00     5.57705258E-03    -1.33089918E-03     3.77394240E-03
    -6.49080070E-03     4.85399173E-03    -1.78658550E-03     3.27109612E-04
    -2.38996607E-05     8.70137168E-03     3.17958662E-03    -8.57551705E-03
     1.23187236E-02    -1.01115027E-02     4.58790969E-03    -1.06270814E-03
     9.88240640E-05 JX  3.48380976E+00    -2.24078347E-02     3.38763538E-03
     2.36389862E-02    -3.02693659E-02     1.38309252E-02    -2.12507905E-03
 Jf  3.07511740E+00    -8.90633475E-05    -4.87032808E-05    -6.62358997E-05
    -1.49598863E-03     4.47076474E-04    -2.36539786E-04     2.51710207E-04
     4.57185804E-04    -1.21666381E-04    -3.58570395E-04     4.99441343E-04
    -5.06675322E-04    -6.78107206E-04     2.34485379E-04     9.69224683E-05
    -1.09942620E-04     6.81917011E-05     1.20389997E-04     6.34295927E-05
    -1.78170769E-04     5.62424092E-04    -1.32799754E-04    -7.70587744E-06
     1.38814951E-04    -5.93009392E-06    -1.00388133E-05    -3.83687818E-05
    -2.90961032E-03     2.52844508E-03     3.46861713E-03    -2.34965632E-03
     8.02237141E-04     3.39519137E-03     2.80173436E-03    -7.50254793E-04
    -1.65597306E-04     1.54296638E-03    -1.26829745E-03    -6.89261741E-04
     7.56801174E-04    -1.17274841E-03     4.03685769E-04    -2.41230927E-04
     1.21436478E-03    -1.48410138E-03     4.03981454E-04     2.70451575E-03
    -9.45735779E-04     1.96798886E-05     5.73869578E-04    -1.32450824E-04
     6.06803223E-05

 Rejected step:
 Variance  :   1.441521E+00 ->   1.627449E+00
 Energy    :  -1.138410E+02 ->  -1.138492E+02

 Current parameters:
 Be  8.98450393E-01    -1.29425655E-03     1.39636715E-01    -1.48884143E+00
     5.40224771E+00    -5.43454055E+00    -7.94266938E+00     1.92415404E+01
    -1.02075411E+01     1.56523798E+00     2.01479123E-03    -1.31253003E-02
     3.76308955E-02    -9.10730696E-02     1.91350587E-01    -2.48753033E-01
     1.70130293E-01    -5.35100789E-02     5.33006051E-03 Bm  2.20833037E+00
    -2.13351890E-02    -3.11694060E-01     5.16482726E-01    -2.68075038E-01
     4.73177801E-02    -4.52006399E-02    -2.88033153E-01     5.28522385E-01
    -2.94828767E-01     5.39945607E-02 BP  6.41731754E+00     4.01027632E-05
    -1.54828953E-05    -6.91811810E-05     2.66739987E-05     3.35151685E-06
    -1.27902434E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.71748221E+00     5.47166006E-03    -1.12780998E-03     3.77963189E-03
    -6.55164287E-03     4.86764175E-03    -1.77894328E-03     3.23965281E-04
    -2.35641072E-05     8.84508231E-03     3.26391465E-03    -8.99752974E-03
     1.26453370E-02    -1.01829116E-02     4.55092506E-03    -1.03843311E-03
     9.49147930E-05 JX  3.49284561E+00    -2.24668684E-02     2.44687812E-03
     2.42740073E-02    -3.04784038E-02     1.39869500E-02    -2.17271473E-03
 Jf  3.06716330E+00    -9.40527086E-05     1.06343589E-06    -6.08998169E-05
    -1.51429274E-03     3.97524141E-04    -2.05088212E-04     1.30683774E-04
     4.71667070E-04    -1.09792027E-04    -3.15531327E-04     4.50050321E-04
    -4.72935124E-04    -7.31341852E-04     2.49299905E-04     1.37368849E-04
    -1.02401667E-04     5.46028519E-05     8.76858995E-05     7.91874797E-05
    -1.79660720E-04     5.51021601E-04    -1.27405850E-04    -9.20601031E-06
     1.44136484E-04    -1.31756066E-05    -4.36283358E-06    -3.33905242E-05
    -2.93453705E-03     2.52260079E-03     3.46690078E-03    -2.30724170E-03
     7.64101014E-04     3.42971982E-03     2.77538444E-03    -7.58232103E-04
    -1.81153994E-04     1.54967262E-03    -1.33078879E-03    -7.14696113E-04
     7.57256481E-04    -1.16219060E-03     3.96764075E-04    -2.31169867E-04
     1.20737930E-03    -1.45729175E-03     3.87548749E-04     2.72828656E-03
    -9.49766479E-04     2.04928302E-05     5.84043083E-04    -1.35160798E-04
     6.05974918E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.441521E+00 ->   1.451882E+00
           Unreweighted mean energy (a.u.)  :  -1.138410E+02 ->  -1.138416E+02


 Writing parameters to correlation.out.14.

 Current parameters:
 Be  8.96703710E-01    -1.21628284E-03     1.35964386E-01    -1.48597418E+00
     5.44185291E+00    -5.50740995E+00    -8.03680308E+00     1.95473951E+01
    -1.03934674E+01     1.54692891E+00     2.04519804E-03    -1.33133888E-02
     3.83010374E-02    -9.40553706E-02     2.00787215E-01    -2.63941717E-01
     1.82332844E-01    -5.82032513E-02     6.03030293E-03 Bm  2.19329769E+00
    -1.41933957E-02    -3.34259454E-01     5.33765302E-01    -2.71200208E-01
     4.67519484E-02    -4.02744455E-02    -3.02910375E-01     5.41226764E-01
    -2.97961915E-01     5.39081360E-02 BP  6.49206064E+00     3.85716078E-05
    -1.48563969E-05    -6.58465514E-05     2.52409369E-05     3.19899494E-06
    -1.18366226E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70940035E+00     5.48149157E-03    -1.08771943E-03     3.77177342E-03
    -6.55926041E-03     4.87113387E-03    -1.77820779E-03     3.23297887E-04
    -2.34327079E-05     8.92428373E-03     3.25942174E-03    -9.03209104E-03
     1.26708081E-02    -1.01892686E-02     4.54818825E-03    -1.03620626E-03
     9.45166608E-05 JX  3.49603377E+00    -2.24469982E-02     2.27381848E-03
     2.43602734E-02    -3.04947519E-02     1.40076493E-02    -2.17977103E-03
 Jf  3.06631577E+00    -9.51532224E-05     9.88476089E-06    -6.09901144E-05
    -1.52241844E-03     3.88999772E-04    -1.98285571E-04     1.12332570E-04
     4.76472367E-04    -1.07018534E-04    -3.11766018E-04     4.47368453E-04
    -4.67345322E-04    -7.35678595E-04     2.50885422E-04     1.40351494E-04
    -1.01518917E-04     5.26540082E-05     8.38558614E-05     8.02641081E-05
    -1.80364609E-04     5.48520452E-04    -1.26839278E-04    -9.31452038E-06
     1.44451113E-04    -1.36896463E-05    -3.81858634E-06    -3.24282099E-05
    -2.93551800E-03     2.51978936E-03     3.46588293E-03    -2.30332381E-03
     7.62318009E-04     3.43347155E-03     2.77314253E-03    -7.60304692E-04
    -1.85221953E-04     1.54906279E-03    -1.33587626E-03    -7.16108075E-04
     7.57678355E-04    -1.16200936E-03     3.96062962E-04    -2.30808301E-04
     1.20874177E-03    -1.45396380E-03     3.85588346E-04     2.72980719E-03
    -9.50237571E-04     2.04991757E-05     5.84986471E-04    -1.35235907E-04
     6.06334232E-05

 Rejected step:
 Variance  :   1.451882E+00 ->   1.450089E+00
 Energy    :  -1.138416E+02 ->  -1.138419E+02

 Current parameters:
 Be  8.93970190E-01    -1.19794091E-03     1.35849514E-01    -1.49726301E+00
     5.50794957E+00    -5.59662991E+00    -8.18552140E+00     1.99797061E+01
    -1.06534184E+01     1.53600837E+00     2.05742778E-03    -1.34345715E-02
     3.88197045E-02    -9.60177785E-02     2.06585294E-01    -2.73494531E-01
     1.90201840E-01    -6.11731742E-02     6.42661786E-03 Bm  2.17751901E+00
    -1.09365278E-02    -3.49930180E-01     5.52051537E-01    -2.79163339E-01
     4.76565184E-02    -3.78666720E-02    -3.15076736E-01     5.58774754E-01
    -3.06744843E-01     5.52593195E-02 BP  6.52122179E+00     3.80205594E-05
    -1.46110163E-05    -6.46403315E-05     2.46904081E-05     3.14630936E-06
    -1.14714076E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70353584E+00     5.49817131E-03    -1.07025708E-03     3.77118584E-03
    -6.56074500E-03     4.87156503E-03    -1.77825718E-03     3.23158750E-04
    -2.33507647E-05     8.97235639E-03     3.26780472E-03    -9.04566512E-03
     1.26734750E-02    -1.01901147E-02     4.54820238E-03    -1.03561625E-03
     9.43535232E-05 JX  3.49942981E+00    -2.24558807E-02     2.22031390E-03
     2.43547290E-02    -3.04946711E-02     1.40160222E-02    -2.18200111E-03
 Jf  3.06502355E+00    -9.53138055E-05     1.22239934E-05    -6.15553275E-05
    -1.52714017E-03     3.86244570E-04    -1.96542842E-04     1.08928804E-04
     4.80924368E-04    -1.05685606E-04    -3.09633680E-04     4.46992469E-04
    -4.66153202E-04    -7.36877684E-04     2.51283192E-04     1.41064683E-04
    -1.01360456E-04     5.20354058E-05     8.30558902E-05     8.02333800E-05
    -1.81522428E-04     5.47431558E-04    -1.26626189E-04    -9.17409021E-06
     1.44616217E-04    -1.37664208E-05    -3.75858584E-06    -3.29775152E-05
    -2.93713828E-03     2.51910641E-03     3.46185356E-03    -2.30260696E-03
     7.63786580E-04     3.43336509E-03     2.77430610E-03    -7.62524659E-04
    -1.86455219E-04     1.54895819E-03    -1.33637278E-03    -7.16952653E-04
     7.57703220E-04    -1.16233480E-03     3.95864509E-04    -2.30944152E-04
     1.21026630E-03    -1.45292965E-03     3.84478849E-04     2.72995040E-03
    -9.50350568E-04     2.05916928E-05     5.85295213E-04    -1.35187816E-04
     6.06289720E-05

 Rejected step:
 Variance  :   1.451882E+00 ->   1.446464E+00
 Energy    :  -1.138416E+02 ->  -1.138418E+02

 Current parameters:
 Be  8.88545615E-01    -1.21468365E-03     1.37404741E-01    -1.52476930E+00
     5.64378627E+00    -5.76940100E+00    -8.48936557E+00     2.08505369E+01
    -1.11845062E+01     1.52914737E+00     2.06020545E-03    -1.34973289E-02
     3.91609844E-02    -9.73206902E-02     2.10315633E-01    -2.79686127E-01
     1.95381588E-01    -6.31164438E-02     6.66689596E-03 Bm  2.16294866E+00
    -1.08390637E-02    -3.57611743E-01     5.66858562E-01    -2.88875181E-01
     4.93962902E-02    -3.81931107E-02    -3.21346426E-01     5.74193749E-01
    -3.17203723E-01     5.73826675E-02 BP  6.52597154E+00     3.79387514E-05
    -1.45682737E-05    -6.44498122E-05     2.46014524E-05     3.13588590E-06
    -1.14182944E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70332939E+00     5.50202324E-03    -1.07113618E-03     3.77208707E-03
    -6.56036954E-03     4.87163589E-03    -1.77828426E-03     3.23146405E-04
    -2.33415152E-05     8.97506543E-03     3.27059270E-03    -9.04703433E-03
     1.26734835E-02    -1.01899949E-02     4.54828115E-03    -1.03558621E-03
     9.43356138E-05 JX  3.49956975E+00    -2.24729480E-02     2.22140914E-03
     2.43552305E-02    -3.04939469E-02     1.40162741E-02    -2.18242336E-03
 Jf  3.06469688E+00    -9.48125944E-05     1.23747444E-05    -6.17608838E-05
    -1.52770218E-03     3.85953448E-04    -1.96753783E-04     1.09265624E-04
     4.81699286E-04    -1.05352906E-04    -3.09186011E-04     4.46899881E-04
    -4.66089521E-04    -7.36992142E-04     2.51291252E-04     1.41096050E-04
    -1.01357446E-04     5.19826032E-05     8.29396503E-05     8.02052114E-05
    -1.81703155E-04     5.47392814E-04    -1.26612864E-04    -9.15628462E-06
     1.44636604E-04    -1.37662576E-05    -3.76342898E-06    -3.25906650E-05
    -2.93739191E-03     2.51900788E-03     3.46156776E-03    -2.30257716E-03
     7.63932670E-04     3.43334109E-03     2.77489599E-03    -7.62832951E-04
    -1.86394639E-04     1.54894039E-03    -1.33626987E-03    -7.17012554E-04
     7.57687980E-04    -1.16228850E-03     3.95871492E-04    -2.30947281E-04
     1.21034874E-03    -1.45286306E-03     3.84201602E-04     2.73001194E-03
    -9.50355872E-04     2.05964742E-05     5.85337533E-04    -1.35177505E-04
     6.06312456E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.451882E+00 ->   1.441476E+00
           Unreweighted mean energy (a.u.)  :  -1.138416E+02 ->  -1.138413E+02


 Writing parameters to correlation.out.14.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 11
 NL2SOL iteration     : 5

 Current parameters:
 Be  8.89761964E-01    -1.21534488E-03     1.37020944E-01    -1.51853688E+00
     5.61299117E+00    -5.73002135E+00    -8.41981058E+00     2.06522062E+01
    -1.10619758E+01     1.52925117E+00     2.06042328E-03    -1.34964224E-02
     3.91554317E-02    -9.73011618E-02     2.10258356E-01    -2.79591272E-01
     1.95302068E-01    -6.30863790E-02     6.66338520E-03 Bm  2.16436704E+00
    -1.10761294E-02    -3.57134031E-01     5.65266367E-01    -2.87977603E-01
     4.91835895E-02    -3.80971891E-02    -3.20611812E-01     5.72765039E-01
    -3.16120877E-01     5.71836385E-02 BP  6.52586692E+00     3.79407107E-05
    -1.45691534E-05    -6.44537812E-05     2.46034903E-05     3.13619795E-06
    -1.14191487E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70334648E+00     5.50218863E-03    -1.07172087E-03     3.77188138E-03
    -6.56039298E-03     4.87164949E-03    -1.77827312E-03     3.23150635E-04
    -2.33407986E-05     8.97504376E-03     3.27070396E-03    -9.04690487E-03
     1.26735531E-02    -1.01899580E-02     4.54829811E-03    -1.03557974E-03
     9.43380838E-05 JX  3.49958824E+00    -2.24736243E-02     2.22105358E-03
     2.43553625E-02    -3.04938389E-02     1.40163312E-02    -2.18238337E-03
 Jf  3.06466011E+00    -9.47436226E-05     1.24070535E-05    -6.17576816E-05
    -1.52762100E-03     3.85970864E-04    -1.96752740E-04     1.09266499E-04
     4.81722309E-04    -1.05200022E-04    -3.09116424E-04     4.46912562E-04
    -4.66087834E-04    -7.36987905E-04     2.51290644E-04     1.41103920E-04
    -1.01356634E-04     5.19824346E-05     8.29877805E-05     8.02100373E-05
    -1.81696597E-04     5.47390853E-04    -1.26613256E-04    -9.15704253E-06
     1.44637452E-04    -1.37663218E-05    -3.76389175E-06    -3.25810118E-05
    -2.93737936E-03     2.51900527E-03     3.46159165E-03    -2.30257411E-03
     7.63932147E-04     3.43334100E-03     2.77489590E-03    -7.62831741E-04
    -1.86383202E-04     1.54893946E-03    -1.33627951E-03    -7.17017378E-04
     7.57687313E-04    -1.16229329E-03     3.95870249E-04    -2.30949018E-04
     1.21036036E-03    -1.45286536E-03     3.84211381E-04     2.73000299E-03
    -9.50356635E-04     2.05961566E-05     5.85335186E-04    -1.35178095E-04
     6.06305957E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.441476E+00 ->   1.440113E+00
           Unreweighted mean energy (a.u.)  :  -1.138413E+02 ->  -1.138418E+02


 Writing parameters to correlation.out.14.

 Current parameters:
 Be  8.94177726E-01    -1.21363048E-03     1.35641935E-01    -1.49623696E+00
     5.50283281E+00    -5.58997450E+00    -8.17325440E+00     1.99493981E+01
    -1.06306912E+01     1.53031910E+00     2.06096086E-03    -1.34864053E-02
     3.91010178E-02    -9.70981680E-02     2.09671131E-01    -2.78618091E-01
     1.94484717E-01    -6.27798421E-02     6.62542440E-03 Bm  2.16967360E+00
    -1.14275432E-02    -3.54696191E-01     5.59713247E-01    -2.84482150E-01
     4.84785626E-02    -3.78793727E-02    -3.18129448E-01     5.67309496E-01
    -3.12179403E-01     5.64158963E-02 BP  6.52577414E+00     3.79422887E-05
    -1.45699828E-05    -6.44575338E-05     2.46052213E-05     3.13639578E-06
    -1.14201622E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70341225E+00     5.50159515E-03    -1.07216166E-03     3.77166735E-03
    -6.56040647E-03     4.87166780E-03    -1.77825820E-03     3.23155316E-04
    -2.33419759E-05     8.97553550E-03     3.27083032E-03    -9.04659983E-03
     1.26736945E-02    -1.01898719E-02     4.54834120E-03    -1.03556390E-03
     9.43445853E-05 JX  3.49951686E+00    -2.24740255E-02     2.21961504E-03
     2.43553935E-02    -3.04937156E-02     1.40163908E-02    -2.18230231E-03
 Jf  3.06465688E+00    -9.45862415E-05     1.24898443E-05    -6.17281947E-05
    -1.52738881E-03     3.86039827E-04    -1.96719914E-04     1.09284918E-04
     4.81696625E-04    -1.05113711E-04    -3.09046697E-04     4.46950576E-04
    -4.66077439E-04    -7.36954883E-04     2.51295678E-04     1.41132763E-04
    -1.01350459E-04     5.19889657E-05     8.30379409E-05     8.02244022E-05
    -1.81657906E-04     5.47413585E-04    -1.26609070E-04    -9.15552233E-06
     1.44645643E-04    -1.37641688E-05    -3.76263118E-06    -3.26533197E-05
    -2.93734321E-03     2.51899617E-03     3.46174593E-03    -2.30254395E-03
     7.63951363E-04     3.43328565E-03     2.77486083E-03    -7.62782383E-04
    -1.86346088E-04     1.54893836E-03    -1.33632554E-03    -7.17027023E-04
     7.57687375E-04    -1.16231203E-03     3.95866651E-04    -2.30952239E-04
     1.21042357E-03    -1.45287635E-03     3.84253463E-04     2.72997255E-03
    -9.50358570E-04     2.05957840E-05     5.85323275E-04    -1.35180503E-04
     6.06290359E-05

 Rejected step:
 Variance  :   1.440113E+00 ->   1.442952E+00
 Energy    :  -1.138418E+02 ->  -1.138417E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 13
 NL2SOL iteration     : 6

 Current parameters:
 Be  8.89761948E-01    -1.21451291E-03     1.37065194E-01    -1.51776956E+00
     5.61087283E+00    -5.73399511E+00    -8.42512236E+00     2.06605928E+01
    -1.10444498E+01     1.52935899E+00     2.06049228E-03    -1.34953377E-02
     3.91501852E-02    -9.72852516E-02     2.10177838E-01    -2.79499057E-01
     1.95236213E-01    -6.30484830E-02     6.66018501E-03 Bm  2.16578309E+00
    -1.10669976E-02    -3.56538012E-01     5.63304404E-01    -2.87258292E-01
     4.89830657E-02    -3.80435975E-02    -3.20004961E-01     5.71103967E-01
    -3.15138816E-01     5.69627815E-02 BP  6.52708226E+00     3.79177633E-05
    -1.45577929E-05    -6.44067911E-05     2.45824795E-05     3.13354023E-06
    -1.14053139E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70334648E+00     5.51415832E-03    -1.02780770E-03     3.58460583E-03
    -6.38539387E-03     4.81645715E-03    -1.78100943E-03     3.27970834E-04
    -2.40994226E-05     8.96486959E-03     3.14209632E-03    -8.70055314E-03
     1.25508366E-02    -1.03806703E-02     4.73329795E-03    -1.09565361E-03
     1.01355958E-04 JX  3.49800556E+00    -2.26263694E-02     2.18792351E-03
     2.33219348E-02    -2.88717878E-02     1.32296199E-02    -2.05931484E-03
 Jf  3.07100902E+00    -9.11153036E-05     1.59510928E-05    -6.20187343E-05
    -1.51005035E-03     3.86554999E-04    -1.97355053E-04     1.14753823E-04
     4.65896337E-04    -1.01935721E-04    -3.10476512E-04     4.46654490E-04
    -4.65891873E-04    -7.12487991E-04     2.45324935E-04     1.39225778E-04
    -1.02974333E-04     5.29505971E-05     8.27152646E-05     7.95110846E-05
    -1.79042341E-04     5.37354786E-04    -1.26711816E-04    -8.87399615E-06
     1.45760811E-04    -1.36103385E-05    -3.80174839E-06    -3.49162536E-05
    -2.91897691E-03     2.45106354E-03     3.51053130E-03    -2.26754607E-03
     7.52113664E-04     3.40327462E-03     2.60497439E-03    -7.61565033E-04
    -1.87426149E-04     1.53664944E-03    -1.21524122E-03    -6.98375763E-04
     6.90248540E-04    -1.14549245E-03     4.22399572E-04    -2.36924073E-04
     1.22394482E-03    -1.46883663E-03     3.96979575E-04     2.61226838E-03
    -8.77570428E-04     1.94621624E-05     5.28640436E-04    -1.32504610E-04
     6.12945948E-05

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 6
 Function evaluations : 19
 Variance reduced to  : 0.14401128E+01

 Writing parameters to correlation.out.14.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 15
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m8s remaining]
  DTVMC #1:   1.4507E-01 (optimized)
  DTVMC #2:   1.1923E-01 (optimized)
 Done. [total CPU time: 5m8s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.7961
 Acceptance ratio #2 <level 1>        (%)  =  51.5900
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1807
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9900
 Diffusion constant #1           (Bohr^2)  = 1.0996E-02
 Diffusion constant #2           (Bohr^2)  = 9.2065E-03
 Correlation time                 (steps)  = 4.2559E+00 +- 5.2789E-01
 Efficiency                  (au^-2 s^-1)  = 1.6815E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.852912472225
  Standard error                        +/-           0.015478407029

  Kinetic energy KEI (used in Total) (au) =         110.252250946973
  Standard error                        +/-           1.057459825765

  Kinetic energy TI                  (au) =         111.931544059457
  Standard error                        +/-           0.676206848672

  Kinetic energy FISQ                (au) =         113.610837171941
  Standard error                        +/-           0.848920709635

  Potential energy                   (au) =        -265.996749901038
  Standard error                        +/-           1.058664997933

  e-e interaction                    (au) =          77.716131498893
  Standard error                        +/-           0.098341227807

  e-n interaction                    (au) =        -343.712881399931
  Standard error                        +/-           1.090091971004

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.166319193158
  Standard error                        +/-           0.044735420465

  Maximum distance from origin       (au) =           7.948416439848

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.6913
 Acceptance ratio #2 <level 1>        (%)  =  51.9107
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1158
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2758
 Diffusion constant #1           (Bohr^2)  = 1.1093E-02
 Diffusion constant #2           (Bohr^2)  = 9.4400E-03
 Correlation time                 (steps)  = 4.3816E+00 +- 6.7883E-01
 Efficiency                  (au^-2 s^-1)  = 1.8229E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.822766338839
  Standard error                        +/-           0.014796788060

  Kinetic energy KEI (used in Total) (au) =          98.623715642585
  Standard error                        +/-           0.707866215872

  Kinetic energy TI                  (au) =         105.905713249046
  Standard error                        +/-           0.510921747323

  Kinetic energy FISQ                (au) =         113.187710855507
  Standard error                        +/-           0.749556176706

  Potential energy                   (au) =        -254.338068463265
  Standard error                        +/-           0.707759258855

  e-e interaction                    (au) =          77.799613877842
  Standard error                        +/-           0.101382450443

  e-n interaction                    (au) =        -332.137682341107
  Standard error                        +/-           0.739369239344

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.254031200001
  Standard error                        +/-           0.081440687573

  Maximum distance from origin       (au) =           8.919624091567

  Particles affected per move       (%) :  99.9995


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.5176
 Acceptance ratio #2 <level 1>        (%)  =  51.2854
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9081
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.5445
 Diffusion constant #1           (Bohr^2)  = 1.0997E-02
 Diffusion constant #2           (Bohr^2)  = 9.2241E-03
 Correlation time                 (steps)  = 3.9323E+00 +- 4.2558E-01
 Efficiency                  (au^-2 s^-1)  = 1.8951E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.774583666950
  Standard error                        +/-           0.016600009342

  Kinetic energy KEI (used in Total) (au) =         120.868851725939
  Standard error                        +/-           1.217478620205

  Kinetic energy TI                  (au) =         117.299094683852
  Standard error                        +/-           0.748057516776

  Kinetic energy FISQ                (au) =         113.729337641766
  Standard error                        +/-           0.828596285060

  Potential energy                   (au) =        -276.535021874729
  Standard error                        +/-           1.214761199029

  e-e interaction                    (au) =          78.396299273627
  Standard error                        +/-           0.103404185775

  e-n interaction                    (au) =        -354.931321148357
  Standard error                        +/-           1.226941943247

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.344039637137
  Standard error                        +/-           0.060876068277

  Maximum distance from origin       (au) =           7.937599468497

  Particles affected per move       (%) :  99.9942


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.5905
 Acceptance ratio #2 <level 1>        (%)  =  51.3453
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9022
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7591
 Diffusion constant #1           (Bohr^2)  = 1.1447E-02
 Diffusion constant #2           (Bohr^2)  = 8.9682E-03
 Correlation time                 (steps)  = 4.0845E+00 +- 4.5841E-01
 Efficiency                  (au^-2 s^-1)  = 1.4690E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.845990418467
  Standard error                        +/-           0.015980990066

  Kinetic energy KEI (used in Total) (au) =         115.635310150300
  Standard error                        +/-           1.042538263613

  Kinetic energy TI                  (au) =         114.639202329004
  Standard error                        +/-           0.625288046384

  Kinetic energy FISQ                (au) =         113.643094507709
  Standard error                        +/-           0.680276932380

  Potential energy                   (au) =        -271.372887050607
  Standard error                        +/-           1.041803809712

  e-e interaction                    (au) =          78.084506862551
  Standard error                        +/-           0.107312312260

  e-n interaction                    (au) =        -349.457393913158
  Standard error                        +/-           1.087990619573

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.391084696742
  Standard error                        +/-           0.066912706554

  Maximum distance from origin       (au) =           8.080850295970

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.5355
 Acceptance ratio #2 <level 1>        (%)  =  51.6524
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9641
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0175
 Diffusion constant #1           (Bohr^2)  = 1.1373E-02
 Diffusion constant #2           (Bohr^2)  = 9.1108E-03
 Correlation time                 (steps)  = 3.6391E+00 +- 4.1344E-01
 Efficiency                  (au^-2 s^-1)  = 1.6561E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.875273146896
  Standard error                        +/-           0.016257469567

  Kinetic energy KEI (used in Total) (au) =         111.432824060768
  Standard error                        +/-           1.351548661043

  Kinetic energy TI                  (au) =         112.759838868183
  Standard error                        +/-           0.733474742451

  Kinetic energy FISQ                (au) =         114.086853675598
  Standard error                        +/-           0.611773265408

  Potential energy                   (au) =        -267.199683689504
  Standard error                        +/-           1.353601259322

  e-e interaction                    (au) =          78.013134637053
  Standard error                        +/-           0.095491871485

  e-n interaction                    (au) =        -345.212818326557
  Standard error                        +/-           1.366305397501

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.661970487627
  Standard error                        +/-           0.127577823630

  Maximum distance from origin       (au) =           8.202216265059

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.8341
 Acceptance ratio #2 <level 1>        (%)  =  51.7010
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2246
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0337
 Diffusion constant #1           (Bohr^2)  = 1.1141E-02
 Diffusion constant #2           (Bohr^2)  = 9.3347E-03
 Correlation time                 (steps)  = 3.1809E+00 +- 3.6491E-01
 Efficiency                  (au^-2 s^-1)  = 1.9982E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.838252796752
  Standard error                        +/-           0.017322001501

  Kinetic energy KEI (used in Total) (au) =         109.778601912211
  Standard error                        +/-           0.703577539958

  Kinetic energy TI                  (au) =         112.445550099965
  Standard error                        +/-           0.578866414449

  Kinetic energy FISQ                (au) =         115.112498287718
  Standard error                        +/-           0.945706816300

  Potential energy                   (au) =        -265.508441190804
  Standard error                        +/-           0.703644887738

  e-e interaction                    (au) =          77.802603830473
  Standard error                        +/-           0.121760395641

  e-n interaction                    (au) =        -343.311045021278
  Standard error                        +/-           0.748021282425

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.575795426770
  Standard error                        +/-           0.227769274361

  Maximum distance from origin       (au) =           7.983817647877

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  52.0397
 Acceptance ratio #2 <level 1>        (%)  =  51.6261
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3564
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9463
 Diffusion constant #1           (Bohr^2)  = 1.1097E-02
 Diffusion constant #2           (Bohr^2)  = 9.3039E-03
 Correlation time                 (steps)  = 3.5858E+00 +- 3.7624E-01
 Efficiency                  (au^-2 s^-1)  = 1.6532E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.820089583484
  Standard error                        +/-           0.017511621338

  Kinetic energy KEI (used in Total) (au) =         110.863950261363
  Standard error                        +/-           1.205377622745

  Kinetic energy TI                  (au) =         111.908700817724
  Standard error                        +/-           0.622116152012

  Kinetic energy FISQ                (au) =         112.953451374085
  Standard error                        +/-           0.394853639994

  Potential energy                   (au) =        -266.575626326688
  Standard error                        +/-           1.205393520120

  e-e interaction                    (au) =          77.996416529124
  Standard error                        +/-           0.118000663991

  e-n interaction                    (au) =        -344.572042855812
  Standard error                        +/-           1.246028453236

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.407987659362
  Standard error                        +/-           0.096552782239

  Maximum distance from origin       (au) =           7.701799043345

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.7073
 Acceptance ratio #2 <level 1>        (%)  =  50.9460
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0489
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.3623
 Diffusion constant #1           (Bohr^2)  = 1.1240E-02
 Diffusion constant #2           (Bohr^2)  = 8.7373E-03
 Correlation time                 (steps)  = 4.1250E+00 +- 5.4135E-01
 Efficiency                  (au^-2 s^-1)  = 1.1697E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.826278403830
  Standard error                        +/-           0.018650975556

  Kinetic energy KEI (used in Total) (au) =         123.964216232138
  Standard error                        +/-           1.025859497802

  Kinetic energy TI                  (au) =         119.612156133900
  Standard error                        +/-           0.788527891103

  Kinetic energy FISQ                (au) =         115.260096035662
  Standard error                        +/-           1.220107990307

  Potential energy                   (au) =        -279.682081117809
  Standard error                        +/-           1.025626077606

  e-e interaction                    (au) =          77.791996608619
  Standard error                        +/-           0.095374611424

  e-n interaction                    (au) =        -357.474077726428
  Standard error                        +/-           1.081278585975

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.075824913110
  Standard error                        +/-           0.746612877794

  Maximum distance from origin       (au) =           7.517948820246

  Particles affected per move       (%) :  99.9995


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.6064
 Acceptance ratio #2 <level 1>        (%)  =  51.4240
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0180
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8103
 Diffusion constant #1           (Bohr^2)  = 1.1044E-02
 Diffusion constant #2           (Bohr^2)  = 9.2476E-03
 Correlation time                 (steps)  = 3.9167E+00 +- 4.7696E-01
 Efficiency                  (au^-2 s^-1)  = 1.6368E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.837439273113
  Standard error                        +/-           0.016121384277

  Kinetic energy KEI (used in Total) (au) =         114.292305291123
  Standard error                        +/-           0.835377984872

  Kinetic energy TI                  (au) =         114.201818952697
  Standard error                        +/-           0.601057364512

  Kinetic energy FISQ                (au) =         114.111332614270
  Standard error                        +/-           0.872226659469

  Potential energy                   (au) =        -270.021331046077
  Standard error                        +/-           0.833882876430

  e-e interaction                    (au) =          77.806028985373
  Standard error                        +/-           0.092292932684

  e-n interaction                    (au) =        -347.827360031450
  Standard error                        +/-           0.870727382244

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.301940261117
  Standard error                        +/-           0.066251285082

  Maximum distance from origin       (au) =           8.993939016359

  Particles affected per move       (%) :  99.9906


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.8990
 Acceptance ratio #2 <level 1>        (%)  =  51.3815
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3215
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.6818
 Diffusion constant #1           (Bohr^2)  = 1.1291E-02
 Diffusion constant #2           (Bohr^2)  = 9.2147E-03
 Correlation time                 (steps)  = 3.9225E+00 +- 4.9111E-01
 Efficiency                  (au^-2 s^-1)  = 1.7143E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.876919537104
  Standard error                        +/-           0.016664261300

  Kinetic energy KEI (used in Total) (au) =         110.550634305688
  Standard error                        +/-           0.933177695419

  Kinetic energy TI                  (au) =         111.372578604268
  Standard error                        +/-           0.528402851362

  Kinetic energy FISQ                (au) =         112.194522902848
  Standard error                        +/-           0.507228214133

  Potential energy                   (au) =        -266.319140324632
  Standard error                        +/-           0.933080259489

  e-e interaction                    (au) =          78.470777452657
  Standard error                        +/-           0.099617775862

  e-n interaction                    (au) =        -344.789917777289
  Standard error                        +/-           0.937071955056

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.489546352363
  Standard error                        +/-           0.161897046872

  Maximum distance from origin       (au) =           7.914834567901

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.837050563766 +/- 0.005241212217      No correction
 -113.837050563766 +/- 0.010353770710      Correlation time method
 -113.837050563766 +/- 0.009054475743      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.837050563766 +/-       0.009054475743
    stderr:      0.009054475743 +/-       0.000925022344
    errfac:      1.722467910211 +/-       0.175970575187
    N_corr:      2.966895701705 +/-       0.606207337801
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.256688E-03   6.644991E-05
            2   6.247847E-03   1.117113E-04
            4   7.231212E-03   1.829075E-04
            8   8.159220E-03   2.920534E-04
           16   8.589069E-03   4.353432E-04
           32   8.931092E-03   6.418356E-04
           64   9.054476E-03   9.250223E-04  *** BEST ***
          128   8.448021E-03   1.233501E-03
          256   9.907935E-03   2.090955E-03
          512   1.131130E-02   3.537104E-03
         1024   1.146680E-02   5.653900E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.466853982739 +- 0.082219222595

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 15
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  8.89761964E-01    -1.21534488E-03     1.37020944E-01    -1.51853688E+00
     5.61299117E+00    -5.73002135E+00    -8.41981058E+00     2.06522062E+01
    -1.10619758E+01     1.52925117E+00     2.06042328E-03    -1.34964224E-02
     3.91554317E-02    -9.73011618E-02     2.10258356E-01    -2.79591272E-01
     1.95302068E-01    -6.30863790E-02     6.66338520E-03 Bm  2.16436704E+00
    -1.10761294E-02    -3.57134031E-01     5.65266367E-01    -2.87977603E-01
     4.91835895E-02    -3.80971891E-02    -3.20611812E-01     5.72765039E-01
    -3.16120877E-01     5.71836385E-02 BP  6.52586692E+00     3.79407107E-05
    -1.45691534E-05    -6.44537812E-05     2.46034903E-05     3.13619795E-06
    -1.14191487E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70334648E+00     5.50218863E-03    -1.07172087E-03     3.77188138E-03
    -6.56039298E-03     4.87164949E-03    -1.77827312E-03     3.23150635E-04
    -2.33407986E-05     8.97504376E-03     3.27070396E-03    -9.04690487E-03
     1.26735531E-02    -1.01899580E-02     4.54829811E-03    -1.03557974E-03
     9.43380838E-05 JX  3.49958824E+00    -2.24736243E-02     2.22105358E-03
     2.43553625E-02    -3.04938389E-02     1.40163312E-02    -2.18238337E-03
 Jf  3.06466011E+00    -9.47436226E-05     1.24070535E-05    -6.17576816E-05
    -1.52762100E-03     3.85970864E-04    -1.96752740E-04     1.09266499E-04
     4.81722309E-04    -1.05200022E-04    -3.09116424E-04     4.46912562E-04
    -4.66087834E-04    -7.36987905E-04     2.51290644E-04     1.41103920E-04
    -1.01356634E-04     5.19824346E-05     8.29877805E-05     8.02100373E-05
    -1.81696597E-04     5.47390853E-04    -1.26613256E-04    -9.15704253E-06
     1.44637452E-04    -1.37663218E-05    -3.76389175E-06    -3.25810118E-05
    -2.93737936E-03     2.51900527E-03     3.46159165E-03    -2.30257411E-03
     7.63932147E-04     3.43334100E-03     2.77489590E-03    -7.62831741E-04
    -1.86383202E-04     1.54893946E-03    -1.33627951E-03    -7.17017378E-04
     7.57687313E-04    -1.16229329E-03     3.95870249E-04    -2.30949018E-04
     1.21036036E-03    -1.45286536E-03     3.84211381E-04     2.73000299E-03
    -9.50356635E-04     2.05961566E-05     5.85335186E-04    -1.35178095E-04
     6.06305957E-05

    Unreweighted variance of energy (a.u.)  :   1.336444E+00
           Unreweighted mean energy (a.u.)  :  -1.138389E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  8.86221920E-01    -3.98023477E-03     3.90791948E-01    -2.14296451E+00
     4.22459016E+00    -8.35695490E-01    -7.96311791E+00     1.01862370E+01
    -3.85076722E+00     1.48373473E+00     2.27513466E-03    -2.23262592E-02
     8.65326543E-02    -1.86157272E-01     2.65056637E-01    -2.82861447E-01
     2.21980662E-01    -1.06152378E-01     2.17645031E-02 Bm  2.15042503E+00
     1.08579723E-02    -4.09623786E-01     6.55519075E-01    -3.56621598E-01
     6.50560865E-02    -1.95637688E-03    -3.79639059E-01     6.41637960E-01
    -3.55565498E-01     6.51239000E-02 BP  6.21792480E+00     6.01254650E-05
    -2.37745638E-05    -8.09874330E-05     3.21357152E-05     1.72162549E-07
    -1.75257680E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69698919E+00     4.84819496E-03     1.18600724E-03    -8.51888331E-04
    -1.28961914E-03     1.69125043E-03    -7.59398061E-04     1.57690275E-04
    -1.25249526E-05     9.13213365E-03     3.90356931E-03    -1.07422681E-02
     1.42839370E-02    -1.09857841E-02     4.86460165E-03    -1.13037979E-03
     1.07364396E-04 JX  3.48414657E+00    -2.53368820E-02     1.73718312E-03
     1.98403533E-02    -2.65239677E-02     1.32054367E-02    -2.18156729E-03
 Jf  3.15721560E+00    -9.25408156E-05     2.29201261E-04    -4.43023059E-04
    -1.21159341E-03     3.81876606E-04    -5.11701170E-05    -1.20925514E-04
    -1.30600299E-05     3.71784338E-05    -2.83612854E-04     1.84714426E-04
    -2.59452263E-04     1.77971556E-05     5.96778794E-06    -3.02852240E-04
     4.87088656E-05    -2.98640821E-05    -8.43666176E-05     3.12411510E-04
    -2.31630685E-04    -1.96296084E-04     9.78632361E-06     7.80748807E-06
     1.99020918E-04    -5.72490905E-05     2.12463478E-05    -6.95739752E-05
    -2.74135898E-03     2.56405874E-03     3.09662607E-03    -2.46261390E-03
     1.01812831E-03     3.07277798E-03     3.41853372E-03    -6.35470597E-04
    -1.37800414E-05     1.23856532E-03    -1.69634854E-03    -1.83955482E-04
     8.02061309E-04    -2.09086732E-03     5.72222153E-04    -3.25160551E-04
     9.44262563E-04    -1.17529778E-03     3.07514905E-04     2.39679839E-03
    -9.07714520E-04     2.83068147E-06     7.10140920E-04    -1.58634057E-04
     7.27903405E-05

 Rejected step:
 Variance  :   1.336444E+00 ->   1.619740E+00
 Energy    :  -1.138389E+02 ->  -1.138611E+02

 Current parameters:
 Be  8.89967010E-01    -8.16982967E-04     2.04658490E-01    -1.92674476E+00
     6.03728534E+00    -4.99913282E+00    -8.98367627E+00     1.87403629E+01
    -9.25517916E+00     1.59067833E+00     1.56663649E-03    -1.32220585E-02
     4.34573459E-02    -9.63514001E-02     1.76934815E-01    -2.24376953E-01
     1.57363045E-01    -4.94929096E-02     4.06684202E-03 Bm  2.14854921E+00
     4.66034303E-03    -4.00477518E-01     6.45777161E-01    -3.49608903E-01
     6.32394876E-02    -6.02373943E-03    -3.81325710E-01     6.48767686E-01
    -3.57368101E-01     6.47304666E-02 BP  6.58719397E+00     3.75771177E-05
    -1.46091569E-05    -6.00536808E-05     2.35676742E-05     3.05139209E-06
    -1.26220678E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69764795E+00     5.02025348E-03    -4.22317674E-04     3.20033294E-03
    -6.15917104E-03     4.78122594E-03    -1.82101550E-03     3.44860190E-04
    -2.58156950E-05     9.14719282E-03     3.45930336E-03    -9.69672628E-03
     1.30797781E-02    -1.01488680E-02     4.51184080E-03    -1.04920882E-03
     9.96431290E-05 JX  3.48148274E+00    -2.53178539E-02     1.60270691E-03
     2.14762580E-02    -2.83211405E-02     1.38899269E-02    -2.26976231E-03
 Jf  3.12999095E+00    -9.07386260E-05     1.01168638E-04    -2.40129559E-04
    -1.20293038E-03     2.44086210E-04    -4.81916525E-06    -7.80317591E-05
     2.77604779E-04    -5.23314731E-05    -2.70202776E-04     3.31008781E-04
    -1.31261949E-04    -5.68656132E-04     2.32386139E-04     1.81760006E-04
    -1.03369717E-04     8.05106592E-06     6.67346345E-05     6.70798082E-05
    -1.45335905E-04     3.26535111E-04    -1.24204712E-04    -6.87065493E-06
     1.62079845E-04    -1.96099976E-05     6.64781343E-06    -6.89866819E-05
    -2.91831277E-03     2.52145048E-03     3.48735645E-03    -2.49117226E-03
     9.89156766E-04     3.33233050E-03     2.93200224E-03    -6.96204077E-04
    -9.71435343E-05     1.50493378E-03    -1.52401845E-03    -7.07340867E-04
     8.02620283E-04    -1.29452960E-03     4.36275271E-04    -2.80667071E-04
     1.09800221E-03    -1.36987449E-03     3.38643167E-04     2.71406321E-03
    -9.27186537E-04     6.01292597E-06     5.71040429E-04    -1.24326732E-04
     6.11587506E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.336444E+00 ->   1.271869E+00
           Unreweighted mean energy (a.u.)  :  -1.138389E+02 ->  -1.138438E+02


 Writing parameters to correlation.out.15.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  8.90387326E-01    -2.55749460E-03     3.62334237E-01    -2.50072864E+00
     6.35584693E+00    -3.97761098E+00    -9.30516391E+00     1.64825178E+01
    -7.52291407E+00     1.55396532E+00     1.75229608E-03    -1.53998479E-02
     5.38507493E-02    -1.18436549E-01     1.98443269E-01    -2.39790553E-01
     1.78953140E-01    -7.01265899E-02     1.07599378E-02 Bm  2.17744653E+00
     8.99193060E-03    -4.05454803E-01     6.63329448E-01    -3.66600630E-01
     6.79474450E-02    -1.41571620E-03    -3.87597746E-01     6.66301066E-01
    -3.74467943E-01     6.94293098E-02 BP  6.50484004E+00     4.03464622E-05
    -1.57280346E-05    -6.31606724E-05     2.48793917E-05     3.21968484E-06
    -1.35295673E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69391639E+00     5.00576035E-03    -3.37749407E-04     2.88446142E-03
    -5.69656867E-03     4.56115881E-03    -1.81824051E-03     3.66482868E-04
    -2.96962681E-05     9.22834101E-03     3.50440703E-03    -9.76057951E-03
     1.31649298E-02    -1.02697390E-02     4.59896112E-03    -1.07502592E-03
     1.02238979E-04 JX  3.46546955E+00    -2.55376018E-02     1.12532494E-03
     2.15330901E-02    -2.86596266E-02     1.44071568E-02    -2.40560056E-03
 Jf  3.11235358E+00    -9.41866290E-05     1.19289306E-04    -2.75717885E-04
    -1.20523827E-03     2.89766190E-04    -3.72385061E-05    -7.06238922E-05
     2.02842182E-04    -5.48235293E-05    -2.96644762E-04     2.97961108E-04
    -1.19770589E-04    -4.82085894E-04     1.90004965E-04     1.24218532E-04
    -8.48576761E-05     1.18856541E-05     6.69513353E-05     1.07307658E-04
    -1.58785443E-04     2.38269987E-04    -1.03001247E-04    -2.61707535E-06
     1.72735034E-04    -2.79743085E-05     8.41600555E-06    -6.57648768E-05
    -2.98446954E-03     2.60760308E-03     3.54339155E-03    -2.52688327E-03
     9.74702791E-04     3.39409688E-03     3.04278543E-03    -7.23042892E-04
    -8.75713983E-05     1.45270371E-03    -1.57893587E-03    -6.12638108E-04
     7.97030385E-04    -1.42059218E-03     4.65543592E-04    -2.86787910E-04
     1.11803380E-03    -1.36323600E-03     3.45850568E-04     2.67685669E-03
    -9.22155703E-04     6.57923153E-06     5.88070498E-04    -1.34068361E-04
     6.55594287E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.271869E+00 ->   1.253399E+00
           Unreweighted mean energy (a.u.)  :  -1.138438E+02 ->  -1.138444E+02


 Writing parameters to correlation.out.15.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 3

 Current parameters:
 Be  1.92470400E+00    -2.78116489E-03     7.04262806E-02    -2.50973951E-01
     2.90108137E-01    -8.40684929E-02    -9.05762993E-02     7.53896913E-02
    -1.52562974E-02     1.93149299E+01     5.08384637E-03    -1.29154767E-03
     3.32023491E-04    -6.40669752E-05     8.05378070E-06    -8.27003589E-07
     4.79064088E-08    -1.47671072E-09     3.17976543E-11 Bm  1.63174530E+00
    -2.49930297E-01    -8.59179860E-01     2.10684710E+00    -1.61126015E+00
     3.22172951E-01    -1.71639863E-02    -8.83401536E-01     2.18524445E+00
    -1.57960020E+00     3.48964533E-01 BP  1.11944640E+00     8.27484917E-03
    -1.72474946E-02    -7.27428880E-02     1.62264593E-01     1.62922045E-02
    -6.52974610E-02 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  4.11671708E+00     8.39340085E-03     9.24841358E-05     2.10167662E-03
    -6.13189662E-03     4.40529560E-03    -1.84976398E-03     3.72016854E-04
    -2.10126599E-05     1.31498803E-02     4.87101243E-03    -9.73373340E-03
     1.27827890E-02    -1.05053435E-02     4.54889387E-03    -1.06059825E-03
     1.17399624E-04 JX  4.01626432E+00    -2.10865846E-02     1.58021543E-03
     2.22808085E-02    -2.92349243E-02     1.38969565E-02    -2.57797126E-03
 Jf  2.71272097E+00     1.60196995E-04    -3.49576032E-05    -3.53320902E-04
    -1.00931093E-03     3.09270656E-04    -4.27798479E-05    -2.42330359E-04
     3.47007237E-04    -1.00980366E-04    -3.56274580E-04     2.85470991E-04
    -1.47348054E-04    -4.61015630E-04     1.94944918E-04     1.36624985E-04
    -8.91814711E-05    -1.66499414E-06     3.96167076E-05     8.30943799E-05
    -2.09980009E-04     2.38520780E-04    -1.00486359E-04     1.20179407E-06
     1.65861202E-04    -3.03357715E-05     5.07816225E-06    -2.17794929E-04
    -3.03372929E-03     2.53533371E-03     3.34634823E-03    -2.46193578E-03
     1.21441798E-03     3.52866046E-03     3.02648874E-03    -1.03049102E-03
    -6.35801281E-05     1.38034435E-03    -1.63688009E-03    -5.95422279E-04
     8.03784246E-04    -1.38446802E-03     4.80653636E-04    -2.79992306E-04
     1.14896946E-03    -1.39120411E-03     2.70843046E-04     2.71683759E-03
    -9.17857933E-04     8.39297017E-06     5.92225036E-04    -1.35584566E-04
     5.62115128E-05

 Rejected step:
 Variance  :   1.253399E+00 ->   3.121318E+03
 Energy    :  -1.138444E+02 ->  -1.184989E+02

 Current parameters:
 Be  9.92687807E-01    -2.60185207E-03     2.88839548E-01    -1.80700634E+00
     4.11244006E+00    -2.30847279E+00    -4.84191417E+00     7.70487131E+00
    -3.14103233E+00     3.82821835E-03     2.09756758E-03    -6.28465612E+00
     8.82431253E+03    -7.95384882E+06     5.37134826E+09    -2.64848588E+12
     7.99674041E+14    -1.26900730E+17     8.45217342E+18 Bm  2.11309714E+00
    -6.22712216E-03    -4.39127912E-01     7.48035376E-01    -4.27644566E-01
     7.99030323E-02    -2.01112176E-03    -4.22433731E-01     7.53777782E-01
    -4.34886705E-01     8.22667157E-02 BP  5.89028283E+00     5.45713661E-05
    -2.33084711E-05    -9.40256408E-05     4.08058600E-05     5.17269217E-06
    -2.51201321E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.73582163E+00     5.33645257E-03    -2.95858151E-04     2.80594092E-03
    -5.74065373E-03     4.54531550E-03    -1.82142329E-03     3.67044812E-04
    -2.88258765E-05     9.62074894E-03     3.63447457E-03    -9.76083978E-03
     1.31269199E-02    -1.02930214E-02     4.59392640E-03    -1.07363849E-03
     1.03755874E-04 JX  3.51654812E+00    -2.51493679E-02     1.15485549E-03
     2.15962177E-02    -2.87194066E-02     1.43566068E-02    -2.42274882E-03
 Jf  3.07347320E+00    -6.83762987E-05     1.03830261E-04    -2.83399233E-04
    -1.18569276E-03     2.91764128E-04    -3.80656365E-05    -8.83957596E-05
     2.16506773E-04    -5.84757430E-05    -3.02497550E-04     2.96683531E-04
    -1.22703362E-04    -4.79905870E-04     1.90456662E-04     1.25490939E-04
    -8.52657690E-05     1.05670738E-05     6.44938394E-05     1.04843043E-04
    -1.63877257E-04     2.38357305E-04    -1.02778082E-04    -2.28313597E-06
     1.72059037E-04    -2.82130299E-05     8.07855624E-06    -8.08740493E-05
    -2.98922434E-03     2.60065985E-03     3.52534793E-03    -2.52043143E-03
     9.97917612E-04     3.40648589E-03     3.04115677E-03    -7.52482636E-04
    -8.54012626E-05     1.44575524E-03    -1.58444147E-03    -6.10807651E-04
     7.97682092E-04    -1.41702228E-03     4.67016362E-04    -2.86120436E-04
     1.12047630E-03    -1.36601180E-03     3.38401733E-04     2.68082922E-03
    -9.21740276E-04     6.74338371E-06     5.88486968E-04    -1.34212906E-04
     6.46679950E-05

 Rejected step:
 Variance  :   1.253399E+00 ->   3.123472E+00
 Energy    :  -1.138444E+02 ->  -1.138277E+02

 Current parameters:
 Be  9.03066763E-01    -2.57626312E-03     3.51930391E-01    -2.39716797E+00
     6.00622951E+00    -3.70588344E+00    -8.54763122E+00     1.49304486E+01
    -6.71616328E+00     1.29212738E+00     1.78958135E-03    -1.85431896E-02
     7.78151992E-02    -2.06108189E-01     4.15025826E-01    -6.03347645E-01
     5.41429481E-01    -2.55090433E-01     4.73002129E-02 Bm  2.16380998E+00
     7.69354972E-03    -4.12939159E-01     6.80168493E-01    -3.78521591E-01
     7.03511118E-02    -1.28388836E-03    -3.94823421E-01     6.83486493E-01
    -3.86359826E-01     7.20662289E-02 BP  6.44130692E+00     4.15655515E-05
    -1.63534103E-05    -6.56902220E-05     2.61295686E-05     3.37820067E-06
    -1.43673986E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69774730E+00     5.03218783E-03    -3.34743073E-04     2.87651008E-03
    -5.70123174E-03     4.55945528E-03    -1.81857122E-03     3.66542339E-04
    -2.96099651E-05     9.26431909E-03     3.51174190E-03    -9.76262826E-03
     1.31613824E-02    -1.02717830E-02     4.59847816E-03    -1.07492403E-03
     1.02380286E-04 JX  3.46806574E+00    -2.55294587E-02     1.12023897E-03
     2.15322263E-02    -2.86670517E-02     1.44022501E-02    -2.40733516E-03
 Jf  3.10955848E+00    -9.14993092E-05     1.17750274E-04    -2.76403490E-04
    -1.20358318E-03     2.89952052E-04    -3.74388036E-05    -7.26547963E-05
     2.03671842E-04    -5.44534617E-05    -2.97151486E-04     2.97806217E-04
    -1.20152140E-04    -4.81863473E-04     1.90023996E-04     1.24327075E-04
    -8.48879542E-05     1.17815092E-05     6.69391780E-05     1.07051475E-04
    -1.59266566E-04     2.38288723E-04    -1.02998230E-04    -2.61061732E-06
     1.72668979E-04    -2.79989623E-05     8.38358497E-06    -6.71675458E-05
    -2.98485727E-03     2.60711863E-03     3.54249439E-03    -2.52628739E-03
     9.76522867E-04     3.39476420E-03     3.04263812E-03    -7.25095640E-04
    -8.75544937E-05     1.45218303E-03    -1.57930296E-03    -6.12420659E-04
     7.97081499E-04    -1.42026588E-03     4.65668564E-04    -2.86722522E-04
     1.11794140E-03    -1.36348866E-03     3.45135408E-04     2.67719526E-03
    -9.22123096E-04     6.58693717E-06     5.88115998E-04    -1.34076246E-04
     6.55003485E-05

 Rejected step:
 Variance  :   1.253399E+00 ->   1.262221E+00
 Energy    :  -1.138444E+02 ->  -1.138424E+02

 Current parameters:
 Be  8.94174703E-01    -2.56400459E-03     3.59214841E-01    -2.46914308E+00
     6.24883787E+00    -3.89401778E+00    -9.07103502E+00     1.60002257E+01
    -7.27131643E+00     1.47438527E+00     1.75678542E-03    -1.62374974E-02
     5.98089543E-02    -1.38678446E-01     2.44876729E-01    -3.11878882E-01
     2.45314579E-01    -1.01317361E-01     1.63887481E-02 Bm  2.17069081E+00
     8.80184610E-03    -4.09292532E-01     6.71544969E-01    -3.72438976E-01
     6.91486133E-02    -1.35376180E-03    -3.91133343E-01     6.74735532E-01
    -3.80280389E-01     7.07559518E-02 BP  6.49023910E+00     4.06232698E-05
    -1.58686605E-05    -6.37278099E-05     2.51615829E-05     3.25687941E-06
    -1.37105639E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69444155E+00     5.00930409E-03    -3.37870650E-04     2.88264407E-03
    -5.69761937E-03     4.56077439E-03    -1.81831436E-03     3.66494680E-04
    -2.96788875E-05     9.23291013E-03     3.50364485E-03    -9.76152262E-03
     1.31643366E-02    -1.02700480E-02     4.59887781E-03    -1.07501608E-03
     1.02261422E-04 JX  3.46521345E+00    -2.55419457E-02     1.12312771E-03
     2.15309245E-02    -2.86618347E-02     1.44059259E-02    -2.40609704E-03
 Jf  3.11211414E+00    -9.36305399E-05     1.18959519E-04    -2.75834746E-04
    -1.20512564E-03     2.89765800E-04    -3.73080871E-05    -7.10704910E-05
     2.02817424E-04    -5.44898589E-05    -2.96727425E-04     2.97910019E-04
    -1.19864099E-04    -4.82053096E-04     1.90003339E-04     1.24210397E-04
    -8.48651946E-05     1.18719262E-05     6.70241078E-05     1.07254417E-04
    -1.58897381E-04     2.38271469E-04    -1.03005825E-04    -2.62057381E-06
     1.72716654E-04    -2.79794943E-05     8.41144996E-06    -6.59881864E-05
    -2.98453630E-03     2.60756711E-03     3.54333814E-03    -2.52676962E-03
     9.74988941E-04     3.39416933E-03     3.04276002E-03    -7.23275094E-04
    -8.76852055E-05     1.45261686E-03    -1.57896735E-03    -6.12600577E-04
     7.97038187E-04    -1.42052852E-03     4.65568572E-04    -2.86767428E-04
     1.11790750E-03    -1.36328736E-03     3.45671959E-04     2.67689563E-03
    -9.22150796E-04     6.57987960E-06     5.88085326E-04    -1.34066543E-04
     6.55563826E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.253399E+00 ->   1.253176E+00
           Unreweighted mean energy (a.u.)  :  -1.138444E+02 ->  -1.138434E+02


 Writing parameters to correlation.out.15.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 9
 NL2SOL iteration     : 4

 Current parameters:
 Be  8.99695213E-01    -2.55806485E-03     3.54864320E-01    -2.42392287E+00
     6.09693492E+00    -3.77594104E+00    -8.74212007E+00     1.53255140E+01
    -6.92189624E+00     1.46514289E+00     1.77348345E-03    -1.63437580E-02
     6.05522754E-02    -1.41329083E-01     2.51111539E-01    -3.21838637E-01
     2.54751297E-01    -1.05872580E-01     1.72378128E-02 Bm  2.17419743E+00
     9.20676929E-03    -4.07089619E-01     6.67308938E-01    -3.69431308E-01
     6.84683461E-02    -1.14925489E-03    -3.89264031E-01     6.70370875E-01
    -3.77223382E-01     7.00781969E-02 BP  6.49587316E+00     4.05172968E-05
    -1.58138360E-05    -6.35080317E-05     2.50522496E-05     3.24236464E-06
    -1.36409932E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69396023E+00     5.00532804E-03    -3.35742751E-04     2.88420572E-03
    -5.69675055E-03     4.56112600E-03    -1.81822259E-03     3.66497132E-04
    -2.96903479E-05     9.22924111E-03     3.50236473E-03    -9.76022346E-03
     1.31654705E-02    -1.02696524E-02     4.59892616E-03    -1.07504156E-03
     1.02244450E-04 JX  3.46467210E+00    -2.55552739E-02     1.12406153E-03
     2.15308194E-02    -2.86612675E-02     1.44066155E-02    -2.40561203E-03
 Jf  3.11256836E+00    -9.33503209E-05     1.19126846E-04    -2.75750710E-04
    -1.20513396E-03     2.89779625E-04    -3.72732772E-05    -7.08089822E-05
     2.02863142E-04    -5.48789940E-05    -2.96725210E-04     2.97967197E-04
    -1.19768700E-04    -4.82052542E-04     1.90002218E-04     1.24227093E-04
    -8.48593150E-05     1.18822976E-05     6.69422112E-05     1.07304887E-04
    -1.58798495E-04     2.38291577E-04    -1.03002374E-04    -2.62227746E-06
     1.72728736E-04    -2.79774851E-05     8.41382085E-06    -6.56539085E-05
    -2.98446742E-03     2.60763305E-03     3.54333318E-03    -2.52673632E-03
     9.75015627E-04     3.39436617E-03     3.04292519E-03    -7.23103211E-04
    -8.77366756E-05     1.45261794E-03    -1.57890389E-03    -6.12649630E-04
     7.97026846E-04    -1.42053213E-03     4.65564153E-04    -2.86780076E-04
     1.11779871E-03    -1.36327272E-03     3.45723940E-04     2.67684426E-03
    -9.22156969E-04     6.57551486E-06     5.88081111E-04    -1.34070502E-04
     6.55500234E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.253176E+00 ->   1.251943E+00
           Unreweighted mean energy (a.u.)  :  -1.138434E+02 ->  -1.138442E+02


 Writing parameters to correlation.out.15.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m7s]

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 4
 Function evaluations : 14
 Variance reduced to  : 0.12519427E+01

 Writing parameters to correlation.out.15.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 16
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m9s remaining]
  DTVMC #1:   1.4417E-01 (optimized)
  DTVMC #2:   1.1713E-01 (optimized)
 Done. [total CPU time: 5m8s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.9758
 Acceptance ratio #2 <level 1>        (%)  =  51.5363
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3115
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8240
 Diffusion constant #1           (Bohr^2)  = 1.1102E-02
 Diffusion constant #2           (Bohr^2)  = 8.8810E-03
 Correlation time                 (steps)  = 4.6036E+00 +- 7.2465E-01
 Efficiency                  (au^-2 s^-1)  = 1.6149E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.854691816570
  Standard error                        +/-           0.016031709021

  Kinetic energy KEI (used in Total) (au) =         110.162096935793
  Standard error                        +/-           0.698329317792

  Kinetic energy TI                  (au) =         111.186961496103
  Standard error                        +/-           0.473154467242

  Kinetic energy FISQ                (au) =         112.211826056414
  Standard error                        +/-           0.568833564331

  Potential energy                   (au) =        -265.908375234203
  Standard error                        +/-           0.696624856518

  e-e interaction                    (au) =          77.812962253353
  Standard error                        +/-           0.100017467605

  e-n interaction                    (au) =        -343.721337487556
  Standard error                        +/-           0.717179544969

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.347225030727
  Standard error                        +/-           0.087671489466

  Maximum distance from origin       (au) =           8.164530311056

  Particles affected per move       (%) :  99.9811


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.5615
 Acceptance ratio #2 <level 1>        (%)  =  51.8346
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8592
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0799
 Diffusion constant #1           (Bohr^2)  = 1.1312E-02
 Diffusion constant #2           (Bohr^2)  = 9.5059E-03
 Correlation time                 (steps)  = 3.9670E+00 +- 4.6998E-01
 Efficiency                  (au^-2 s^-1)  = 1.2534E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.842129822585
  Standard error                        +/-           0.018334371456

  Kinetic energy KEI (used in Total) (au) =         107.580932458860
  Standard error                        +/-           1.110658236647

  Kinetic energy TI                  (au) =         109.792432943348
  Standard error                        +/-           0.578775749593

  Kinetic energy FISQ                (au) =         112.003933427835
  Standard error                        +/-           0.357503398972

  Potential energy                   (au) =        -263.314648763285
  Standard error                        +/-           1.110033173336

  e-e interaction                    (au) =          78.104380568981
  Standard error                        +/-           0.112364147156

  e-n interaction                    (au) =        -341.419029332266
  Standard error                        +/-           1.145171123613

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.678636234261
  Standard error                        +/-           0.305290201253

  Maximum distance from origin       (au) =           7.094264095567

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.6474
 Acceptance ratio #2 <level 1>        (%)  =  51.6199
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9381
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9850
 Diffusion constant #1           (Bohr^2)  = 1.0778E-02
 Diffusion constant #2           (Bohr^2)  = 8.9870E-03
 Correlation time                 (steps)  = 3.6919E+00 +- 4.1948E-01
 Efficiency                  (au^-2 s^-1)  = 1.9820E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.831343400768
  Standard error                        +/-           0.014539433142

  Kinetic energy KEI (used in Total) (au) =         123.019885345249
  Standard error                        +/-           1.085168815231

  Kinetic energy TI                  (au) =         118.028253023719
  Standard error                        +/-           0.579138557137

  Kinetic energy FISQ                (au) =         113.036620702189
  Standard error                        +/-           0.463399534245

  Potential energy                   (au) =        -278.742815227857
  Standard error                        +/-           1.084779568781

  e-e interaction                    (au) =          78.530054137570
  Standard error                        +/-           0.121970262309

  e-n interaction                    (au) =        -357.272869365427
  Standard error                        +/-           1.111506007554

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.368786551385
  Standard error                        +/-           0.098143273462

  Maximum distance from origin       (au) =           8.391399391587

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.8421
 Acceptance ratio #2 <level 1>        (%)  =  52.0779
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1038
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.3270
 Diffusion constant #1           (Bohr^2)  = 1.1232E-02
 Diffusion constant #2           (Bohr^2)  = 9.2180E-03
 Correlation time                 (steps)  = 4.8842E+00 +- 8.6139E-01
 Efficiency                  (au^-2 s^-1)  = 1.2683E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.831019926940
  Standard error                        +/-           0.016508642065

  Kinetic energy KEI (used in Total) (au) =         113.177695575047
  Standard error                        +/-           0.921965693015

  Kinetic energy TI                  (au) =         113.031822634358
  Standard error                        +/-           0.505211425512

  Kinetic energy FISQ                (au) =         112.885949693669
  Standard error                        +/-           0.452054209264

  Potential energy                   (au) =        -268.900301983828
  Standard error                        +/-           0.923850469190

  e-e interaction                    (au) =          77.751273908617
  Standard error                        +/-           0.107617273288

  e-n interaction                    (au) =        -346.651575892445
  Standard error                        +/-           0.948212011261

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.347387078476
  Standard error                        +/-           0.119359396775

  Maximum distance from origin       (au) =           7.734862306877

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.8480
 Acceptance ratio #2 <level 1>        (%)  =  51.5313
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1607
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7492
 Diffusion constant #1           (Bohr^2)  = 1.0997E-02
 Diffusion constant #2           (Bohr^2)  = 9.0632E-03
 Correlation time                 (steps)  = 3.7373E+00 +- 5.0206E-01
 Efficiency                  (au^-2 s^-1)  = 1.6769E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.834967157960
  Standard error                        +/-           0.018176966225

  Kinetic energy KEI (used in Total) (au) =         120.075879210224
  Standard error                        +/-           1.229266631313

  Kinetic energy TI                  (au) =         116.822914850103
  Standard error                        +/-           0.698106202321

  Kinetic energy FISQ                (au) =         113.569950489982
  Standard error                        +/-           0.654562555061

  Potential energy                   (au) =        -275.802432850025
  Standard error                        +/-           1.228745565859

  e-e interaction                    (au) =          78.107328912556
  Standard error                        +/-           0.092998197013

  e-n interaction                    (au) =        -353.909761762581
  Standard error                        +/-           1.232851236447

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.598229503731
  Standard error                        +/-           0.152217524886

  Maximum distance from origin       (au) =           8.052197641867

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.5475
 Acceptance ratio #2 <level 1>        (%)  =  51.5263
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8223
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7779
 Diffusion constant #1           (Bohr^2)  = 1.0914E-02
 Diffusion constant #2           (Bohr^2)  = 9.0011E-03
 Correlation time                 (steps)  = 2.9319E+00 +- 2.7414E-01
 Efficiency                  (au^-2 s^-1)  = 1.5801E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.825072384961
  Standard error                        +/-           0.018524560371

  Kinetic energy KEI (used in Total) (au) =         118.397666030199
  Standard error                        +/-           1.130304423722

  Kinetic energy TI                  (au) =         115.889060361774
  Standard error                        +/-           0.622606729943

  Kinetic energy FISQ                (au) =         113.380454693350
  Standard error                        +/-           0.494792504774

  Potential energy                   (au) =        -274.114324897001
  Standard error                        +/-           1.128387974501

  e-e interaction                    (au) =          78.462253197670
  Standard error                        +/-           0.099706912630

  e-n interaction                    (au) =        -352.576578094670
  Standard error                        +/-           1.171435058098

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.801682301754
  Standard error                        +/-           0.435427966846

  Maximum distance from origin       (au) =           7.964690501075

  Particles affected per move       (%) :  99.9958


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.6074
 Acceptance ratio #2 <level 1>        (%)  =  51.5887
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8922
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9014
 Diffusion constant #1           (Bohr^2)  = 1.0742E-02
 Diffusion constant #2           (Bohr^2)  = 9.2324E-03
 Correlation time                 (steps)  = 3.5503E+00 +- 4.1379E-01
 Efficiency                  (au^-2 s^-1)  = 1.9771E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.835739392991
  Standard error                        +/-           0.016099405499

  Kinetic energy KEI (used in Total) (au) =         120.891163114451
  Standard error                        +/-           0.932434104516

  Kinetic energy TI                  (au) =         116.880520991865
  Standard error                        +/-           0.504129898791

  Kinetic energy FISQ                (au) =         112.869878869279
  Standard error                        +/-           0.434840222673

  Potential energy                   (au) =        -276.618488989282
  Standard error                        +/-           0.932934794423

  e-e interaction                    (au) =          78.599488569529
  Standard error                        +/-           0.122944771576

  e-n interaction                    (au) =        -355.217977558810
  Standard error                        +/-           0.985151362129

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.426938972977
  Standard error                        +/-           0.065860573347

  Maximum distance from origin       (au) =           7.619055499029

  Particles affected per move       (%) :  99.9999


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.7502
 Acceptance ratio #2 <level 1>        (%)  =  51.7010
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1018
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9451
 Diffusion constant #1           (Bohr^2)  = 1.1440E-02
 Diffusion constant #2           (Bohr^2)  = 8.7089E-03
 Correlation time                 (steps)  = 3.3155E+00 +- 3.3435E-01
 Efficiency                  (au^-2 s^-1)  = 2.2996E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.836919566686
  Standard error                        +/-           0.017137492561

  Kinetic energy KEI (used in Total) (au) =         124.590916825526
  Standard error                        +/-           1.267700602299

  Kinetic energy TI                  (au) =         119.079686418797
  Standard error                        +/-           0.736730070142

  Kinetic energy FISQ                (au) =         113.568456012069
  Standard error                        +/-           0.765280252063

  Potential energy                   (au) =        -280.319422874052
  Standard error                        +/-           1.267693744370

  e-e interaction                    (au) =          79.125415076383
  Standard error                        +/-           0.093879676847

  e-n interaction                    (au) =        -359.444837950436
  Standard error                        +/-           1.299367822537

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.313708293427
  Standard error                        +/-           0.078338679408

  Maximum distance from origin       (au) =           7.704696343569

  Particles affected per move       (%) :  99.9953


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.6444
 Acceptance ratio #2 <level 1>        (%)  =  51.7010
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8582
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9663
 Diffusion constant #1           (Bohr^2)  = 1.1316E-02
 Diffusion constant #2           (Bohr^2)  = 8.9853E-03
 Correlation time                 (steps)  = 3.8919E+00 +- 4.9941E-01
 Efficiency                  (au^-2 s^-1)  = 1.4921E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.887037119715
  Standard error                        +/-           0.017052108753

  Kinetic energy KEI (used in Total) (au) =         114.933386367105
  Standard error                        +/-           1.045189630396

  Kinetic energy TI                  (au) =         114.052034187057
  Standard error                        +/-           0.608039808801

  Kinetic energy FISQ                (au) =         113.170682007010
  Standard error                        +/-           0.655258665559

  Potential energy                   (au) =        -270.712009968661
  Standard error                        +/-           1.045913700104

  e-e interaction                    (au) =          78.402958670822
  Standard error                        +/-           0.117790727439

  e-n interaction                    (au) =        -349.114968639482
  Standard error                        +/-           1.099941483452

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.437367035455
  Standard error                        +/-           0.161100466039

  Maximum distance from origin       (au) =           8.295966182674

  Particles affected per move       (%) :  99.9920


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.8341
 Acceptance ratio #2 <level 1>        (%)  =  51.7684
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1947
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0399
 Diffusion constant #1           (Bohr^2)  = 1.1744E-02
 Diffusion constant #2           (Bohr^2)  = 9.0374E-03
 Correlation time                 (steps)  = 4.4399E+00 +- 8.3182E-01
 Efficiency                  (au^-2 s^-1)  = 1.6658E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.848722428803
  Standard error                        +/-           0.016716586299

  Kinetic energy KEI (used in Total) (au) =         108.621998783805
  Standard error                        +/-           0.947461605642

  Kinetic energy TI                  (au) =         110.937978233815
  Standard error                        +/-           0.542719233834

  Kinetic energy FISQ                (au) =         113.253957683825
  Standard error                        +/-           0.583314891954

  Potential energy                   (au) =        -264.362307694449
  Standard error                        +/-           0.947242121894

  e-e interaction                    (au) =          77.836307824546
  Standard error                        +/-           0.092653905274

  e-n interaction                    (au) =        -342.198615518994
  Standard error                        +/-           0.959285854401

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.354255467729
  Standard error                        +/-           0.090186296705

  Maximum distance from origin       (au) =           7.448227614882

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.842764301798 +/- 0.005360797784      No correction
 -113.842764301798 +/- 0.010588561378      Correlation time method
 -113.842764301798 +/- 0.008591411025      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.842764301798 +/-       0.008591411025
    stderr:      0.008591411025 +/-       0.000877714778
    errfac:      1.602404830907 +/-       0.163704704224
    N_corr:      2.567701242113 +/-       0.524642417782
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.361573E-03   6.777577E-05
            2   6.288129E-03   1.124315E-04
            4   7.226049E-03   1.827770E-04
            8   8.005975E-03   2.865681E-04
           16   8.884061E-03   4.502951E-04
           32   9.008592E-03   6.474052E-04
           64   8.591411E-03   8.777148E-04  *** BEST ***
          128   8.322545E-03   1.215180E-03
          256   8.823904E-03   1.862183E-03
          512   1.071707E-02   3.351284E-03
         1024   1.329467E-02   6.555160E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.467421646992 +- 0.052811340810

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 16
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  8.99695213E-01    -2.55806485E-03     3.54864320E-01    -2.42392287E+00
     6.09693492E+00    -3.77594104E+00    -8.74212007E+00     1.53255140E+01
    -6.92189624E+00     1.46514289E+00     1.77348345E-03    -1.63437580E-02
     6.05522754E-02    -1.41329083E-01     2.51111539E-01    -3.21838637E-01
     2.54751297E-01    -1.05872580E-01     1.72378128E-02 Bm  2.17419743E+00
     9.20676929E-03    -4.07089619E-01     6.67308938E-01    -3.69431308E-01
     6.84683461E-02    -1.14925489E-03    -3.89264031E-01     6.70370875E-01
    -3.77223382E-01     7.00781969E-02 BP  6.49587316E+00     4.05172968E-05
    -1.58138360E-05    -6.35080317E-05     2.50522496E-05     3.24236464E-06
    -1.36409932E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69396023E+00     5.00532804E-03    -3.35742751E-04     2.88420572E-03
    -5.69675055E-03     4.56112600E-03    -1.81822259E-03     3.66497132E-04
    -2.96903479E-05     9.22924111E-03     3.50236473E-03    -9.76022346E-03
     1.31654705E-02    -1.02696524E-02     4.59892616E-03    -1.07504156E-03
     1.02244450E-04 JX  3.46467210E+00    -2.55552739E-02     1.12406153E-03
     2.15308194E-02    -2.86612675E-02     1.44066155E-02    -2.40561203E-03
 Jf  3.11256836E+00    -9.33503209E-05     1.19126846E-04    -2.75750710E-04
    -1.20513396E-03     2.89779625E-04    -3.72732772E-05    -7.08089822E-05
     2.02863142E-04    -5.48789940E-05    -2.96725210E-04     2.97967197E-04
    -1.19768700E-04    -4.82052542E-04     1.90002218E-04     1.24227093E-04
    -8.48593150E-05     1.18822976E-05     6.69422112E-05     1.07304887E-04
    -1.58798495E-04     2.38291577E-04    -1.03002374E-04    -2.62227746E-06
     1.72728736E-04    -2.79774851E-05     8.41382085E-06    -6.56539085E-05
    -2.98446742E-03     2.60763305E-03     3.54333318E-03    -2.52673632E-03
     9.75015627E-04     3.39436617E-03     3.04292519E-03    -7.23103211E-04
    -8.77366756E-05     1.45261794E-03    -1.57890389E-03    -6.12649630E-04
     7.97026846E-04    -1.42053213E-03     4.65564153E-04    -2.86780076E-04
     1.11779871E-03    -1.36327272E-03     3.45723940E-04     2.67684426E-03
    -9.22156969E-04     6.57551486E-06     5.88081111E-04    -1.34070502E-04
     6.55500234E-05

    Unreweighted variance of energy (a.u.)  :   1.754563E+00
           Unreweighted mean energy (a.u.)  :  -1.138520E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  8.97714737E-01    -5.82204623E-03     3.78511402E-01    -2.25421936E+00
     5.74826836E+00    -4.20158834E+00    -7.56271467E+00     1.49759618E+01
    -7.19395647E+00     9.20236756E-01     3.08418890E-03    -2.08875406E-02
     7.20973269E-02    -4.28261718E-01     1.77185209E+00    -3.58396028E+00
     3.76073909E+00    -2.27870681E+00     7.82480696E-01 Bm  2.13676363E+00
    -4.54573655E-02    -1.76548123E-01     3.40269338E-01    -1.88900449E-01
     3.39309724E-02    -5.19396808E-02    -1.32195393E-01     2.61348053E-01
    -1.46164884E-01     2.80076056E-02 BP  8.39037359E+00     1.21746538E-05
    -5.08861696E-06    -2.32357255E-05     8.51598512E-06     1.35936211E-06
    -4.21224084E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.71790146E+00     4.77463053E-03     4.16911910E-03    -8.57804245E-03
     7.87100254E-03    -4.28133491E-03     1.42093388E-03    -2.46676934E-04
     1.57279993E-05     8.94843917E-03     3.80868827E-03    -9.45582769E-03
     1.19333419E-02    -9.07772941E-03     4.06081993E-03    -9.54423210E-04
     9.08370212E-05 JX  3.44116180E+00    -2.62599993E-02     1.31643361E-03
     2.00602040E-02    -2.54204535E-02     1.27463125E-02    -2.16893573E-03
 Jf  3.09176646E+00    -7.35165998E-05     8.46422673E-04    -1.02926153E-03
    -2.22863574E-03     9.11872108E-04    -2.91811182E-04    -1.56736245E-03
    -9.23025892E-04    -1.65540668E-04    -2.16758685E-04     6.25610839E-05
     1.44236722E-03    -2.20156190E-03     3.07707340E-04     2.04587434E-03
    -4.47104613E-04     1.05822109E-04     1.63454497E-04    -8.39345144E-05
    -3.06217267E-05     1.48560619E-04     2.57906772E-04    -7.24032578E-05
    -3.32838584E-04     8.66744308E-05    -1.80904654E-05    -6.93806292E-05
    -2.67096927E-03     2.35212762E-03     2.66870612E-03    -2.02287165E-03
     7.07614501E-04     3.00531913E-03     3.06217709E-03    -6.78082316E-04
    -4.07165132E-05     1.18575417E-03    -1.72227955E-03    -3.77979211E-04
     7.53653457E-04    -1.77381479E-03     4.57623249E-04    -2.37758409E-04
     9.22481135E-04    -1.05283641E-03     2.30072317E-04     2.23936966E-03
    -7.90816931E-04    -4.46991492E-06     6.59417985E-04    -1.49800676E-04
     6.37631097E-05

 Rejected step:
 Variance  :   1.754563E+00 ->   9.802177E+00
 Energy    :  -1.138520E+02 ->  -1.138215E+02

 Current parameters:
 Be  8.95147191E-01    -4.37685675E-03     3.84126784E-01    -2.46046592E+00
     6.16378574E+00    -3.91641819E+00    -8.92500975E+00     1.60325876E+01
    -7.37550756E+00     1.35592156E+00     3.15154356E-03    -2.07009863E-02
     6.53106034E-02    -1.70371892E-01     3.50671734E-01    -4.75850381E-01
     3.96175331E-01    -1.88518801E-01     4.02349321E-02 Bm  2.18203405E+00
    -2.43328151E-02    -3.05818671E-01     5.65935518E-01    -3.26884950E-01
     6.18447577E-02    -2.15962315E-02    -2.94887944E-01     5.38500121E-01
    -3.16930423E-01     6.28073585E-02 BP  6.88603178E+00     3.31878953E-05
    -1.25187194E-05    -5.12235793E-05     1.87002068E-05     2.63819174E-06
    -7.84396626E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.69885323E+00     4.81434565E-03     1.31257332E-03     5.48605336E-04
    -4.34384281E-03     4.39512944E-03    -1.92258621E-03     4.00045093E-04
    -3.23870747E-05     9.03996861E-03     3.69109124E-03    -9.76740611E-03
     1.31122709E-02    -1.02595421E-02     4.59166519E-03    -1.06855456E-03
     1.00549798E-04 JX  3.43513190E+00    -2.62608234E-02     8.20899503E-04
     2.16236584E-02    -2.76134284E-02     1.38724378E-02    -2.35276624E-03
 Jf  3.06294811E+00    -1.04086047E-04     2.15318556E-04    -2.97681758E-04
    -1.50586972E-03     3.13385290E-04    -4.16883183E-05    -4.48439225E-04
     2.65358723E-04    -5.71869877E-05    -2.63832775E-04     2.49086138E-04
     3.89513225E-05    -6.72303117E-04     2.33136204E-04     1.43419819E-04
    -7.05455581E-05    -1.35782598E-06     1.88064875E-05     1.47521986E-04
    -1.69516134E-04     1.98601984E-04    -7.24736873E-05    -1.13879657E-05
     1.76724625E-04    -3.58976557E-05     1.46750302E-05    -7.52082551E-05
    -3.02566444E-03     2.60248966E-03     3.48765878E-03    -2.44879574E-03
     8.89757394E-04     3.42283016E-03     3.06599536E-03    -7.52001918E-04
    -7.01006618E-05     1.42617469E-03    -1.69352913E-03    -6.80039355E-04
     8.19956874E-04    -1.44494570E-03     4.55986667E-04    -2.68318809E-04
     1.10228424E-03    -1.31689349E-03     3.15692817E-04     2.66463983E-03
    -8.99654364E-04     2.47139084E-07     6.05471005E-04    -1.39587195E-04
     6.59611713E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.754563E+00 ->   1.706587E+00
           Unreweighted mean energy (a.u.)  :  -1.138520E+02 ->  -1.138478E+02


 Writing parameters to correlation.out.16.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  8.95465702E-01    -4.80065989E-03     3.89945795E-01    -2.44415604E+00
     6.11679664E+00    -3.95480933E+00    -8.84147217E+00     1.61227158E+01
    -7.49470117E+00     1.41874974E+00     2.89919164E-03    -1.78300510E-02
     5.64476197E-02    -1.49202962E-01     2.94184419E-01    -3.78290457E-01
     3.02102366E-01    -1.37551599E-01     2.74279720E-02 Bm  2.20037890E+00
    -3.11993179E-02    -2.55766318E-01     4.87893884E-01    -2.84055510E-01
     5.42768959E-02    -3.00393656E-02    -2.30768853E-01     4.30615998E-01
    -2.50461761E-01     4.92754304E-02 BP  6.75558869E+00     3.53661203E-05
    -1.33155152E-05    -5.59851587E-05     2.03632684E-05     2.96317124E-06
    -8.53130689E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70958954E+00     4.71669073E-03     2.02076713E-03    -9.92684008E-04
    -3.16643213E-03     4.09596129E-03    -1.98891972E-03     4.49524930E-04
    -3.96421206E-05     8.94589371E-03     3.77741816E-03    -9.85124169E-03
     1.30166001E-02    -1.01603501E-02     4.58083114E-03    -1.07694892E-03
     1.02229409E-04 JX  3.42391098E+00    -2.65122754E-02     1.13787543E-03
     2.09948850E-02    -2.69105661E-02     1.35034460E-02    -2.28710056E-03
 Jf  3.05597404E+00    -1.01934458E-04     3.78369323E-04    -4.09236394E-04
    -1.78252309E-03     3.78104589E-04    -5.09375891E-05    -7.91113715E-04
     2.93402501E-04    -5.72863437E-05    -2.39273882E-04     1.65834188E-04
     2.21888399E-04    -8.99974265E-04     2.98426356E-04     1.53858132E-04
    -5.61879479E-05    -2.29913214E-05    -1.37013176E-05     1.76013131E-04
    -1.68272167E-04     1.53452784E-04    -2.55892719E-05    -2.78226295E-05
     1.82945555E-04    -4.30052206E-05     2.19423321E-05    -7.93878477E-05
    -3.00942036E-03     2.58237212E-03     3.32843310E-03    -2.37502443E-03
     8.44312459E-04     3.38822416E-03     3.10548981E-03    -7.49244590E-04
    -5.59480377E-05     1.40810200E-03    -1.78604824E-03    -7.17912695E-04
     8.39084372E-04    -1.47569791E-03     4.45722738E-04    -2.59338395E-04
     1.06756932E-03    -1.26452985E-03     2.84828526E-04     2.64471691E-03
    -8.81974580E-04    -5.20406910E-06     6.24767652E-04    -1.42917350E-04
     6.63313313E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.706587E+00 ->   1.672890E+00
           Unreweighted mean energy (a.u.)  :  -1.138478E+02 ->  -1.138458E+02


 Writing parameters to correlation.out.16.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 3

 Current parameters:
 Be  8.95360279E-01    -5.07104291E-03     3.89344426E-01    -2.41822847E+00
     6.08625967E+00    -4.01536326E+00    -8.79353258E+00     1.62586554E+01
    -7.61804064E+00     1.50199224E+00     2.85997118E-03    -1.67727792E-02
     4.95555881E-02    -1.25045697E-01     2.35830776E-01    -2.84203772E-01
     2.13022201E-01    -9.38595108E-02     1.87807155E-02 Bm  2.20134717E+00
    -3.46704150E-02    -2.26245495E-01     4.31069792E-01    -2.46946150E-01
     4.62620355E-02    -3.89457815E-02    -1.83676918E-01     3.45341250E-01
    -1.92266449E-01     3.58156286E-02 BP  6.57128948E+00     3.90213137E-05
    -1.46764529E-05    -6.30749216E-05     2.29241423E-05     3.59878805E-06
    -1.06060365E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70928433E+00     4.73927607E-03     2.61173716E-03    -2.40042528E-03
    -2.01155269E-03     3.73527077E-03    -2.01738902E-03     4.91885629E-04
    -4.65994622E-05     8.94605716E-03     3.82002636E-03    -9.85860517E-03
     1.28977414E-02    -1.00574032E-02     4.56372785E-03    -1.08312021E-03
     1.03819463E-04 JX  3.42215982E+00    -2.66773525E-02     1.25400827E-03
     2.07186487E-02    -2.65703389E-02     1.33002030E-02    -2.24846205E-03
 Jf  3.04643532E+00    -9.82378173E-05     5.57039035E-04    -5.31984387E-04
    -2.10532514E-03     4.86179400E-04    -8.12792959E-05    -1.12180207E-03
     3.18897805E-04    -6.89885336E-05    -2.21439031E-04     6.96107983E-05
     4.42368371E-04    -1.13020502E-03     3.63703375E-04     1.78670061E-04
    -5.09901122E-05    -3.93973192E-05    -2.29962665E-05     1.84354910E-04
    -1.53689442E-04     1.07542044E-04     2.58913992E-05    -4.49911895E-05
     1.79503055E-04    -4.71515778E-05     2.80447227E-05    -8.26002116E-05
    -2.99308803E-03     2.57017031E-03     3.17024109E-03    -2.30570191E-03
     8.06413419E-04     3.36482465E-03     3.15003858E-03    -7.52678574E-04
    -5.27672170E-05     1.38640469E-03    -1.84409797E-03    -7.15378060E-04
     8.50187405E-04    -1.51582074E-03     4.34411441E-04    -2.49097891E-04
     1.05075467E-03    -1.22661136E-03     2.65177451E-04     2.61768801E-03
    -8.70984097E-04    -8.49449095E-06     6.42808187E-04    -1.44823069E-04
     6.56519065E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.672890E+00 ->   1.664599E+00
           Unreweighted mean energy (a.u.)  :  -1.138458E+02 ->  -1.138445E+02


 Writing parameters to correlation.out.16.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 6
 NL2SOL iteration     : 4

 Current parameters:
 Be  8.95721616E-01    -5.29901207E-03     3.86495174E-01    -2.38503420E+00
     6.04272632E+00    -4.06672377E+00    -8.71087892E+00     1.63128842E+01
    -7.69350322E+00     1.57956369E+00     2.90344270E-03    -1.67351640E-02
     4.60781186E-02    -1.06697799E-01     1.92005567E-01    -2.22166089E-01
     1.57406930E-01    -6.50804621E-02     1.23900800E-02 Bm  2.20499616E+00
    -4.21944631E-02    -1.90583762E-01     3.75362440E-01    -2.14153693E-01
     3.97635069E-02    -5.01080738E-02    -1.35432443E-01     2.73511082E-01
    -1.50796466E-01     2.77328463E-02 BP  6.31838823E+00     4.48985007E-05
    -1.68704369E-05    -7.45198401E-05     2.70890006E-05     4.76925468E-06
    -1.45755169E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70328450E+00     4.75480921E-03     3.07247981E-03    -3.54299592E-03
    -9.68411647E-04     3.32222553E-03    -1.98084000E-03     5.11627336E-04
    -5.07932360E-05     8.98894807E-03     3.83193789E-03    -9.81871963E-03
     1.27792599E-02    -9.96775494E-03     4.54248388E-03    -1.08434707E-03
     1.04544074E-04 JX  3.41741904E+00    -2.68459480E-02     1.39853886E-03
     2.05857797E-02    -2.65134490E-02     1.32731055E-02    -2.24371747E-03
 Jf  3.02811126E+00    -9.92258933E-05     7.31703504E-04    -6.57091413E-04
    -2.47734061E-03     6.22380234E-04    -1.27063151E-04    -1.44583317E-03
     3.42473908E-04    -9.15400493E-05    -2.10836983E-04    -2.26179984E-05
     7.02042313E-04    -1.36354073E-03     4.27180798E-04     2.36756758E-04
    -6.30076198E-05    -4.52653883E-05    -1.07409549E-05     1.76457560E-04
    -1.34837894E-04     5.53469087E-05     8.20021581E-05    -6.24556187E-05
     1.63016551E-04    -4.59817045E-05     3.13149791E-05    -8.71817860E-05
    -3.03316660E-03     2.59583162E-03     3.09055412E-03    -2.27232033E-03
     7.77792180E-04     3.40833601E-03     3.21757941E-03    -7.73116163E-04
    -5.28901945E-05     1.37366871E-03    -1.92312328E-03    -6.93981973E-04
     8.57289118E-04    -1.57222463E-03     4.28154620E-04    -2.38362067E-04
     1.05838675E-03    -1.20450234E-03     2.49018712E-04     2.59963441E-03
    -8.61572626E-04    -1.09668018E-05     6.58298765E-04    -1.46698497E-04
     6.46381836E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.664599E+00 ->   1.661541E+00
           Unreweighted mean energy (a.u.)  :  -1.138445E+02 ->  -1.138435E+02


 Writing parameters to correlation.out.16.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 7
 NL2SOL iteration     : 5

 Current parameters:
 Be  8.95637447E-01    -5.44430074E-03     3.83424589E-01    -2.35804043E+00
     6.01448226E+00    -4.12055683E+00    -8.65030019E+00     1.63786271E+01
    -7.76357002E+00     1.61222884E+00     2.93929098E-03    -1.68532085E-02
     4.51755157E-02    -1.00214310E-01     1.76111276E-01    -2.01190503E-01
     1.39611575E-01    -5.55868758E-02     1.00880808E-02 Bm  2.20599962E+00
    -4.56654585E-02    -1.74618631E-01     3.53420037E-01    -2.02896022E-01
     3.79328696E-02    -5.54958282E-02    -1.14136281E-01     2.44699275E-01
    -1.35537054E-01     2.50459416E-02 BP  5.99918364E+00     5.39792173E-05
    -2.02879840E-05    -9.27931481E-05     3.37929998E-05     6.87624199E-06
    -2.18866375E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70400529E+00     4.71807834E-03     3.34060224E-03    -4.30710034E-03
    -1.30612928E-04     2.87326718E-03    -1.86339692E-03     5.00352535E-04
    -5.11029033E-05     8.96698586E-03     3.84413243E-03    -9.83687243E-03
     1.27349140E-02    -9.88780027E-03     4.50008894E-03    -1.07561919E-03
     1.03935717E-04 JX  3.41128477E+00    -2.70090146E-02     1.50999729E-03
     2.06428913E-02    -2.67394022E-02     1.33941217E-02    -2.26224704E-03
 Jf  3.00129059E+00    -1.04791598E-04     9.09612766E-04    -8.00725435E-04
    -2.89045478E-03     7.80890311E-04    -1.81164757E-04    -1.77538985E-03
     3.46022706E-04    -1.15118404E-04    -2.07300498E-04    -1.16656246E-04
     9.85008754E-04    -1.62190371E-03     4.94411410E-04     3.55485047E-04
    -9.74065809E-05    -4.19846476E-05     5.74849246E-06     1.70932017E-04
    -1.18462465E-04    -4.69961366E-06     1.44533329E-04    -8.14932800E-05
     1.31784725E-04    -3.85623923E-05     3.19077339E-05    -9.51190312E-05
    -3.14533843E-03     2.67103704E-03     3.14322075E-03    -2.30696568E-03
     7.72950445E-04     3.53340554E-03     3.30921629E-03    -8.09033934E-04
    -5.28290105E-05     1.37448555E-03    -2.04017233E-03    -6.72812998E-04
     8.65621650E-04    -1.64162969E-03     4.35703056E-04    -2.34388154E-04
     1.08670409E-03    -1.19963017E-03     2.37939334E-04     2.60832781E-03
    -8.56371612E-04    -1.33106267E-05     6.71018876E-04    -1.50248191E-04
     6.50319635E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.661541E+00 ->   1.664269E+00
           Unreweighted mean energy (a.u.)  :  -1.138435E+02 ->  -1.138431E+02


 Writing parameters to correlation.out.16.

 Current parameters:
 Be  8.95706857E-01    -5.38492505E-03     3.85384898E-01    -2.37321287E+00
     6.03032605E+00    -4.09023518E+00    -8.68778391E+00     1.63470773E+01
    -7.72605919E+00     1.61140027E+00     2.91281766E-03    -1.67052824E-02
     4.50448476E-02    -1.00563764E-01     1.76658699E-01    -2.01384782E-01
     1.39961665E-01    -5.61348760E-02     1.02984106E-02 Bm  2.20605047E+00
    -4.43748958E-02    -1.80533632E-01     3.62773141E-01    -2.08365484E-01
     3.89829917E-02    -5.32908045E-02    -1.22543382E-01     2.56796185E-01
    -1.42415802E-01     2.63723641E-02 BP  6.19984471E+00     4.80419013E-05
    -1.80303259E-05    -8.08730459E-05     2.93581392E-05     5.46727063E-06
    -1.67457526E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70541267E+00     4.71678440E-03     3.21963355E-03    -3.94259798E-03
    -5.63985730E-04     3.14539863E-03    -1.95566718E-03     5.15453225E-04
    -5.19180840E-05     8.95786603E-03     3.83168890E-03    -9.82541164E-03
     1.27649881E-02    -9.93825952E-03     4.52738819E-03    -1.08169104E-03
     1.04408620E-04 JX  3.41197855E+00    -2.69709486E-02     1.52935827E-03
     2.04734525E-02    -2.65313379E-02     1.32977084E-02    -2.24626474E-03
 Jf  3.01499189E+00    -1.02611162E-04     8.06024101E-04    -7.22413470E-04
    -2.65364729E-03     6.87597587E-04    -1.46980969E-04    -1.58534781E-03
     3.51774136E-04    -1.00424375E-04    -2.10985769E-04    -6.15695266E-05
     8.19835531E-04    -1.47396024E-03     4.58988483E-04     2.67498261E-04
    -7.18571654E-05    -4.74431707E-05    -4.90624191E-06     1.76921875E-04
    -1.29716291E-04     2.71230107E-05     1.09524588E-04    -7.13628963E-05
     1.54927389E-04    -4.44687349E-05     3.25147012E-05    -9.15742274E-05
    -3.07836206E-03     2.62116009E-03     3.09592518E-03    -2.27651788E-03
     7.71209302E-04     3.46137027E-03     3.25350852E-03    -7.90071330E-04
    -5.49399902E-05     1.36997157E-03    -1.97142141E-03    -6.84263190E-04
     8.61808958E-04    -1.59946639E-03     4.27544338E-04    -2.34706444E-04
     1.07182187E-03    -1.19953251E-03     2.43683834E-04     2.59536341E-03
    -8.57053446E-04    -1.25501085E-05     6.64178387E-04    -1.47649701E-04
     6.44206039E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.664269E+00 ->   1.656546E+00
           Unreweighted mean energy (a.u.)  :  -1.138431E+02 ->  -1.138436E+02


 Writing parameters to correlation.out.16.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 9
 NL2SOL iteration     : 6

 Current parameters:
 Be  8.95720730E-01    -5.44463205E-03     3.84399179E-01    -2.36334073E+00
     6.01912473E+00    -4.10864967E+00    -8.66498683E+00     1.63677708E+01
    -7.74956187E+00     1.64372205E+00     2.93210366E-03    -1.68284579E-02
     4.43507729E-02    -9.47153579E-02     1.62213860E-01    -1.82887578E-01
     1.24775928E-01    -4.80359612E-02     8.26659207E-03 Bm  2.20048151E+00
    -4.45737254E-02    -1.78041792E-01     3.58165397E-01    -2.05701848E-01
     3.84893010E-02    -5.40844347E-02    -1.18536022E-01     2.49815700E-01
    -1.38143606E-01     2.54792046E-02 BP  6.06448692E+00     5.19833306E-05
    -1.95196547E-05    -8.88394267E-05     3.22736519E-05     6.36309079E-06
    -1.97559112E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.70056978E+00     4.71582488E-03     3.35111518E-03    -4.26956815E-03
    -2.46225582E-04     2.99748725E-03    -1.92294634E-03     5.13231639E-04
    -5.21190725E-05     8.98532503E-03     3.84804341E-03    -9.85884393E-03
     1.27685076E-02    -9.91551285E-03     4.51267462E-03    -1.07859855E-03
     1.04214973E-04 JX  3.39985288E+00    -2.72662999E-02     1.52559069E-03
     2.05137173E-02    -2.66908027E-02     1.34113742E-02    -2.26817163E-03
 Jf  3.00392146E+00    -1.05293055E-04     8.77721691E-04    -7.85979889E-04
    -2.82632069E-03     7.57122057E-04    -1.71549296E-04    -1.71668552E-03
     3.56825367E-04    -1.07572311E-04    -2.12192680E-04    -9.73377981E-05
     9.32243980E-04    -1.57768974E-03     4.88580853E-04     3.00700575E-04
    -8.35705192E-05    -4.68212916E-05     1.42155825E-07     1.76729633E-04
    -1.24144249E-04     2.06926099E-07     1.35685652E-04    -7.98564805E-05
     1.45770475E-04    -4.20136627E-05     3.29463055E-05    -9.48049348E-05
    -3.12703363E-03     2.65017982E-03     3.12892961E-03    -2.29260132E-03
     7.70954264E-04     3.51649752E-03     3.28819961E-03    -8.05640686E-04
    -5.56017114E-05     1.36845592E-03    -2.01389389E-03    -6.75793835E-04
     8.66354216E-04    -1.62864470E-03     4.30357678E-04    -2.33360397E-04
     1.08548904E-03    -1.19982849E-03     2.41950162E-04     2.59680438E-03
    -8.53903989E-04    -1.41752126E-05     6.68009697E-04    -1.48370769E-04
     6.44070889E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.656546E+00 ->   1.655808E+00
           Unreweighted mean energy (a.u.)  :  -1.138436E+02 ->  -1.138436E+02


 Writing parameters to correlation.out.16.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 10
 NL2SOL iteration     : 7

 Current parameters:
 Be  8.95875886E-01    -5.47736833E-03     3.83439029E-01    -2.35366534E+00
     6.00354517E+00    -4.12142864E+00    -8.63004970E+00     1.63664511E+01
    -7.76493534E+00     1.69397375E+00     2.95076053E-03    -1.68844486E-02
     4.29982180E-02    -8.63482517E-02     1.42731030E-01    -1.58009769E-01
     1.04684542E-01    -3.80281227E-02     5.98160968E-03 Bm  2.20386357E+00
    -4.67116837E-02    -1.68474676E-01     3.44965722E-01    -1.98115553E-01
     3.69353332E-02    -5.60714961E-02    -1.08295384E-01     2.34304689E-01
    -1.28444128E-01     2.33407872E-02 BP  5.95872823E+00     5.54078456E-05
    -2.07814390E-05    -9.59027678E-05     3.47085852E-05     7.25173245E-06
    -2.23562679E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.68384317E+00     4.76142052E-03     3.47791520E-03    -4.57219024E-03
     5.15040769E-05     2.84914754E-03    -1.88342154E-03     5.08486959E-04
    -5.20265479E-05     9.09531957E-03     3.87697118E-03    -9.90845861E-03
     1.27797825E-02    -9.89444042E-03     4.49881438E-03    -1.07613532E-03
     1.04154801E-04 JX  3.38740699E+00    -2.75370665E-02     1.50269226E-03
     2.06810824E-02    -2.70050799E-02     1.36114090E-02    -2.30748941E-03
 Jf  2.98868841E+00    -1.09784842E-04     9.51480030E-04    -8.51850631E-04
    -3.02413612E-03     8.31921044E-04    -1.96063061E-04    -1.84930720E-03
     3.65810848E-04    -1.15417783E-04    -2.18851039E-04    -1.31484353E-04
     1.04603101E-03    -1.68522148E-03     5.19106530E-04     3.41996468E-04
    -9.75846875E-05    -4.58083375E-05     7.24263170E-06     1.78710615E-04
    -1.21047736E-04    -2.70499565E-05     1.62943763E-04    -8.85381354E-05
     1.34259331E-04    -3.90835615E-05     3.34138328E-05    -9.94427809E-05
    -3.19870328E-03     2.69983946E-03     3.17341614E-03    -2.32151285E-03
     7.73231756E-04     3.59864277E-03     3.34399619E-03    -8.28898443E-04
    -5.82674308E-05     1.37559966E-03    -2.07486376E-03    -6.69362105E-04
     8.71853684E-04    -1.66566011E-03     4.36585749E-04    -2.32954011E-04
     1.11015624E-03    -1.20777420E-03     2.39640874E-04     2.61001451E-03
    -8.49964892E-04    -1.61861376E-05     6.69477454E-04    -1.49196676E-04
     6.46334130E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.655808E+00 ->   1.652822E+00
           Unreweighted mean energy (a.u.)  :  -1.138436E+02 ->  -1.138440E+02


 Writing parameters to correlation.out.16.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 11
 NL2SOL iteration     : 8

 Current parameters:
 Be  8.95599616E-01    -5.51866498E-03     3.83101803E-01    -2.34847517E+00
     6.00161002E+00    -4.14159087E+00    -8.62431499E+00     1.64084697E+01
    -7.79568602E+00     1.69844673E+00     2.98083801E-03    -1.69778367E-02
     4.28877572E-02    -8.54352675E-02     1.41052374E-01    -1.56211250E-01
     1.03133406E-01    -3.70578055E-02     5.71027672E-03 Bm  2.20345364E+00
    -4.79307527E-02    -1.65225477E-01     3.39823426E-01    -1.94170523E-01
     3.59179173E-02    -5.83363171E-02    -1.03377177E-01     2.30308546E-01
    -1.27169379E-01     2.33017110E-02 BP  5.80237931E+00     6.09851673E-05
    -2.28692436E-05    -1.07472755E-04     3.88629003E-05     8.68416025E-06
    -2.70176782E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.66493106E+00     4.81669484E-03     3.60647505E-03    -4.86720912E-03
     3.42761170E-04     2.69611183E-03    -1.84001357E-03     5.03559213E-04
    -5.20983954E-05     9.22003290E-03     3.92537147E-03    -9.97262840E-03
     1.27651762E-02    -9.84897008E-03     4.48552373E-03    -1.07805194E-03
     1.04977824E-04 JX  3.38044058E+00    -2.77156033E-02     1.50393984E-03
     2.09113192E-02    -2.73473055E-02     1.37755195E-02    -2.33283067E-03
 Jf  2.97748757E+00    -1.12905354E-04     1.03079810E-03    -9.18644131E-04
    -3.22117109E-03     9.05092896E-04    -2.19824173E-04    -1.99481880E-03
     3.74920098E-04    -1.22896804E-04    -2.17402210E-04    -1.73619443E-04
     1.16452146E-03    -1.79825444E-03     5.52442909E-04     3.89744003E-04
    -1.15213298E-04    -4.32382173E-05     1.05621541E-05     1.81001676E-04
    -1.16268429E-04    -5.80733677E-05     1.91706423E-04    -9.79101064E-05
     1.21866339E-04    -3.52328769E-05     3.33244867E-05    -1.03755498E-04
    -3.26577635E-03     2.75230441E-03     3.24419248E-03    -2.37008313E-03
     7.88418897E-04     3.67050862E-03     3.39992901E-03    -8.47394904E-04
    -5.50440193E-05     1.37697510E-03    -2.12994300E-03    -6.64998194E-04
     8.78732073E-04    -1.69887774E-03     4.47030942E-04    -2.37172361E-04
     1.12890131E-03    -1.21611655E-03     2.40312455E-04     2.62675150E-03
    -8.48571115E-04    -1.80214390E-05     6.70103421E-04    -1.50603429E-04
     6.57372056E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.652822E+00 ->   1.651825E+00
           Unreweighted mean energy (a.u.)  :  -1.138440E+02 ->  -1.138441E+02


 Writing parameters to correlation.out.16.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 12
 NL2SOL iteration     : 9

 Current parameters:
 Be  8.95492125E-01    -5.54944580E-03     3.82847359E-01    -2.34341482E+00
     5.99544573E+00    -4.15509835E+00    -8.60676609E+00     1.64250547E+01
    -7.81626622E+00     1.70627930E+00     2.99440668E-03    -1.70065671E-02
     4.25921905E-02    -8.40399865E-02     1.38317472E-01    -1.52928164E-01
     1.00393721E-01    -3.56270141E-02     5.38243345E-03 Bm  2.21396628E+00
    -5.00432064E-02    -1.55575480E-01     3.27702216E-01    -1.88037948E-01
     3.48520078E-02    -5.95701996E-02    -9.47487338E-02     2.16395232E-01
    -1.17620690E-01     2.10253076E-02 BP  5.63076827E+00     6.79508352E-05
    -2.54827759E-05    -1.22180156E-04     4.42065662E-05     1.05641598E-05
    -3.33548605E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.66359237E+00     4.78773885E-03     3.70217094E-03    -5.10023898E-03
     6.07603416E-04     2.54033223E-03    -1.79047592E-03     4.96186762E-04
    -5.18662242E-05     9.21557745E-03     3.92935954E-03    -9.96259313E-03
     1.27354955E-02    -9.81843052E-03     4.47264240E-03    -1.07591951E-03
     1.04861348E-04 JX  3.36781928E+00    -2.79953742E-02     1.43022575E-03
     2.12138588E-02    -2.78026858E-02     1.40373113E-02    -2.38167205E-03
 Jf  2.96781192E+00    -1.16748333E-04     1.11309558E-03    -9.89136409E-04
    -3.42820723E-03     9.82938727E-04    -2.42475049E-04    -2.14012564E-03
     3.81906351E-04    -1.27718235E-04    -2.16471714E-04    -2.14189413E-04
     1.28298488E-03    -1.90871310E-03     5.85411300E-04     4.46033766E-04
    -1.37211468E-04    -3.95277461E-05     1.25385297E-05     1.83416512E-04
    -1.12377450E-04    -8.89352321E-05     2.20377312E-04    -1.07353615E-04
     1.06424432E-04    -2.97853366E-05     3.27076231E-05    -1.07587211E-04
    -3.33291509E-03     2.80383141E-03     3.32494484E-03    -2.42538738E-03
     8.09576283E-04     3.73955491E-03     3.45569766E-03    -8.63527607E-04
    -5.04299692E-05     1.38178030E-03    -2.18534335E-03    -6.59941511E-04
     8.85753497E-04    -1.73639649E-03     4.59978058E-04    -2.43331126E-04
     1.14460350E-03    -1.22418654E-03     2.40395130E-04     2.64543644E-03
    -8.48859223E-04    -1.95774078E-05     6.71561202E-04    -1.52234260E-04
     6.70705427E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.651825E+00 ->   1.650259E+00
           Unreweighted mean energy (a.u.)  :  -1.138441E+02 ->  -1.138443E+02


 Writing parameters to correlation.out.16.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 13
 NL2SOL iteration     : 10

 Current parameters:
 Be  8.94874168E-01    -5.56614813E-03     3.83144815E-01    -2.34375519E+00
     6.00433730E+00    -4.17790786E+00    -8.62028217E+00     1.65008940E+01
    -7.86657499E+00     1.70458743E+00     3.00765979E-03    -1.70263943E-02
     4.24938470E-02    -8.40734979E-02     1.38989234E-01    -1.53810015E-01
     1.00893834E-01    -3.58466510E-02     5.45391407E-03 Bm  2.21236532E+00
    -5.10836014E-02    -1.53772640E-01     3.25333607E-01    -1.85981880E-01
     3.42498393E-02    -6.12598356E-02    -9.14368467E-02     2.09890322E-01
    -1.11655222E-01     1.92773190E-02 BP  5.46258372E+00     7.57604294E-05
    -2.83945285E-05    -1.39272190E-04     5.03715103E-05     1.28195362E-05
    -4.08533423E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.66137250E+00     4.77713461E-03     3.78169656E-03    -5.29507452E-03
     8.33113830E-04     2.39749916E-03    -1.73694040E-03     4.85033978E-04
    -5.08949528E-05     9.22326271E-03     3.93974461E-03    -9.95916637E-03
     1.27015619E-02    -9.78450332E-03     4.45974391E-03    -1.07431274E-03
     1.04887330E-04 JX  3.36984009E+00    -2.79995514E-02     1.38962699E-03
     2.15653538E-02    -2.82601183E-02     1.42551498E-02    -2.41671877E-03
 Jf  2.95553710E+00    -1.22032637E-04     1.19910392E-03    -1.05813387E-03
    -3.64323385E-03     1.06205657E-03    -2.68874391E-04    -2.29759033E-03
     3.89967655E-04    -1.33447936E-04    -2.14421776E-04    -2.62028940E-04
     1.40105211E-03    -2.03070350E-03     6.20257894E-04     5.15793914E-04
    -1.62401709E-04    -3.37479251E-05     1.13822641E-05     1.92107881E-04
    -1.10366025E-04    -1.19512585E-04     2.50070995E-04    -1.16900143E-04
     8.89507548E-05    -2.38730864E-05     3.16857056E-05    -1.11577085E-04
    -3.41463932E-03     2.86899734E-03     3.42085596E-03    -2.48872211E-03
     8.28918954E-04     3.82366162E-03     3.51826198E-03    -8.84072037E-04
    -4.43067958E-05     1.38815328E-03    -2.26002870E-03    -6.60326503E-04
     8.93384924E-04    -1.77377355E-03     4.75194992E-04    -2.49564547E-04
     1.16204823E-03    -1.23112419E-03     2.38664361E-04     2.67271505E-03
    -8.50301722E-04    -2.08802595E-05     6.74323733E-04    -1.55043648E-04
     6.88133133E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.650259E+00 ->   1.648741E+00
           Unreweighted mean energy (a.u.)  :  -1.138443E+02 ->  -1.138445E+02


 Writing parameters to correlation.out.16.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m7s]

 NL2SOL return code : 10
 Exceeded OPT_MAXITER iterations.

 Optimization halted: minimum not reached within target accuracy.

 Iterations           : 10
 Function evaluations : 24
 Variance reduced to  : 0.16487414E+01

 Writing parameters to correlation.out.16.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 17
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m11s remaining]
  DTVMC #1:   1.4500E-01 (optimized)
  DTVMC #2:   1.1775E-01 (optimized)
 Done. [total CPU time: 5m8s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  52.0018
 Acceptance ratio #2 <level 1>        (%)  =  51.4851
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2905
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7991
 Diffusion constant #1           (Bohr^2)  = 1.1065E-02
 Diffusion constant #2           (Bohr^2)  = 8.6393E-03
 Correlation time                 (steps)  = 3.2801E+00 +- 3.3784E-01
 Efficiency                  (au^-2 s^-1)  = 1.9418E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.817055802269
  Standard error                        +/-           0.017475338043

  Kinetic energy KEI (used in Total) (au) =         108.960468480313
  Standard error                        +/-           0.933201479148

  Kinetic energy TI                  (au) =         111.382554137425
  Standard error                        +/-           0.771450765800

  Kinetic energy FISQ                (au) =         113.804639794538
  Standard error                        +/-           1.184302682744

  Potential energy                   (au) =        -264.669110764422
  Standard error                        +/-           0.932957220435

  e-e interaction                    (au) =          78.697026329537
  Standard error                        +/-           0.125435282970

  e-n interaction                    (au) =        -343.366137093959
  Standard error                        +/-           0.988829281263

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.572496726556
  Standard error                        +/-           0.214347823931

  Maximum distance from origin       (au) =           8.511599695430

  Particles affected per move       (%) :  99.9225


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.6973
 Acceptance ratio #2 <level 1>        (%)  =  51.6848
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0669
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0262
 Diffusion constant #1           (Bohr^2)  = 1.1085E-02
 Diffusion constant #2           (Bohr^2)  = 9.1171E-03
 Correlation time                 (steps)  = 3.8802E+00 +- 4.5884E-01
 Efficiency                  (au^-2 s^-1)  = 1.8206E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.846489904533
  Standard error                        +/-           0.016718284794

  Kinetic energy KEI (used in Total) (au) =         119.394514686082
  Standard error                        +/-           1.117271101817

  Kinetic energy TI                  (au) =         116.513292932487
  Standard error                        +/-           0.792818203796

  Kinetic energy FISQ                (au) =         113.632071178891
  Standard error                        +/-           1.212284181473

  Potential energy                   (au) =        -275.132591072456
  Standard error                        +/-           1.116081924207

  e-e interaction                    (au) =          78.654368088952
  Standard error                        +/-           0.102688922997

  e-n interaction                    (au) =        -353.786959161408
  Standard error                        +/-           1.167058212892

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.417837125300
  Standard error                        +/-           0.091922494120

  Maximum distance from origin       (au) =           7.523125171714

  Particles affected per move       (%) :  99.9799


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  52.0377
 Acceptance ratio #2 <level 1>        (%)  =  51.9032
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.3235
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1672
 Diffusion constant #1           (Bohr^2)  = 1.1375E-02
 Diffusion constant #2           (Bohr^2)  = 9.0718E-03
 Correlation time                 (steps)  = 3.8126E+00 +- 4.8648E-01
 Efficiency                  (au^-2 s^-1)  = 1.5795E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.817323657925
  Standard error                        +/-           0.016475435378

  Kinetic energy KEI (used in Total) (au) =         112.080978262906
  Standard error                        +/-           0.852543015410

  Kinetic energy TI                  (au) =         113.987267471863
  Standard error                        +/-           1.022344814417

  Kinetic energy FISQ                (au) =         115.893556680820
  Standard error                        +/-           1.845075860584

  Potential energy                   (au) =        -267.789888402672
  Standard error                        +/-           0.849702485165

  e-e interaction                    (au) =          78.017383574749
  Standard error                        +/-           0.123695499435

  e-n interaction                    (au) =        -345.807271977420
  Standard error                        +/-           0.898997870942

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.386004755286
  Standard error                        +/-           0.095773373344

  Maximum distance from origin       (au) =           7.371887682018

  Particles affected per move       (%) :  99.9615


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.5805
 Acceptance ratio #2 <level 1>        (%)  =  51.7572
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8962
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1260
 Diffusion constant #1           (Bohr^2)  = 1.1194E-02
 Diffusion constant #2           (Bohr^2)  = 9.2831E-03
 Correlation time                 (steps)  = 3.6159E+00 +- 4.2751E-01
 Efficiency                  (au^-2 s^-1)  = 1.4347E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.796983226275
  Standard error                        +/-           0.020294448312

  Kinetic energy KEI (used in Total) (au) =         126.146613318931
  Standard error                        +/-           1.114351245992

  Kinetic energy TI                  (au) =         119.485166806589
  Standard error                        +/-           0.635511572366

  Kinetic energy FISQ                (au) =         112.823720294247
  Standard error                        +/-           0.619462328453

  Potential energy                   (au) =        -281.835183027046
  Standard error                        +/-           1.110732393352

  e-e interaction                    (au) =          78.389617357987
  Standard error                        +/-           0.099527733199

  e-n interaction                    (au) =        -360.224800385033
  Standard error                        +/-           1.130756930735

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.930739071212
  Standard error                        +/-           0.295784673126

  Maximum distance from origin       (au) =           8.072066993739

  Particles affected per move       (%) :  99.9624


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.6494
 Acceptance ratio #2 <level 1>        (%)  =  51.9032
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9800
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2546
 Diffusion constant #1           (Bohr^2)  = 1.1224E-02
 Diffusion constant #2           (Bohr^2)  = 9.3483E-03
 Correlation time                 (steps)  = 3.8460E+00 +- 4.7016E-01
 Efficiency                  (au^-2 s^-1)  = 1.8460E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.852769806955
  Standard error                        +/-           0.015501301901

  Kinetic energy KEI (used in Total) (au) =         104.788624515815
  Standard error                        +/-           1.180310818996

  Kinetic energy TI                  (au) =         109.697871463982
  Standard error                        +/-           0.797939285832

  Kinetic energy FISQ                (au) =         114.607118412150
  Standard error                        +/-           1.017479980270

  Potential energy                   (au) =        -260.532980804611
  Standard error                        +/-           1.178900391014

  e-e interaction                    (au) =          77.718809814916
  Standard error                        +/-           0.100999938182

  e-n interaction                    (au) =        -338.251790619527
  Standard error                        +/-           1.221266441340

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.410761606674
  Standard error                        +/-           0.106185026831

  Maximum distance from origin       (au) =           7.300805968381

  Particles affected per move       (%) :  99.9237


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.5715
 Acceptance ratio #2 <level 1>        (%)  =  51.8059
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9361
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0499
 Diffusion constant #1           (Bohr^2)  = 1.1397E-02
 Diffusion constant #2           (Bohr^2)  = 9.3860E-03
 Correlation time                 (steps)  = 3.6585E+00 +- 3.8420E-01
 Efficiency                  (au^-2 s^-1)  = 1.6373E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.796537753441
  Standard error                        +/-           0.016743969101

  Kinetic energy KEI (used in Total) (au) =         117.682265847011
  Standard error                        +/-           1.215281568578

  Kinetic energy TI                  (au) =         115.499026568583
  Standard error                        +/-           0.680044553989

  Kinetic energy FISQ                (au) =         113.315787290156
  Standard error                        +/-           0.616799429219

  Potential energy                   (au) =        -273.370390082292
  Standard error                        +/-           1.214720892228

  e-e interaction                    (au) =          78.201900173717
  Standard error                        +/-           0.088339120874

  e-n interaction                    (au) =        -351.572290256009
  Standard error                        +/-           1.250812248663

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.393463955421
  Standard error                        +/-           0.082169346524

  Maximum distance from origin       (au) =           7.901431447711

  Particles affected per move       (%) :  99.9490


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.2929
 Acceptance ratio #2 <level 1>        (%)  =  51.4003
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7194
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7267
 Diffusion constant #1           (Bohr^2)  = 1.0965E-02
 Diffusion constant #2           (Bohr^2)  = 9.1720E-03
 Correlation time                 (steps)  = 3.2632E+00 +- 3.5936E-01
 Efficiency                  (au^-2 s^-1)  = 2.1278E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.873230022446
  Standard error                        +/-           0.017597960771

  Kinetic energy KEI (used in Total) (au) =         122.023334570674
  Standard error                        +/-           1.486028877032

  Kinetic energy TI                  (au) =         117.862995208567
  Standard error                        +/-           0.831530345188

  Kinetic energy FISQ                (au) =         113.702655846461
  Standard error                        +/-           0.718022771968

  Potential energy                   (au) =        -277.788151074960
  Standard error                        +/-           1.487696801074

  e-e interaction                    (au) =          78.952966377336
  Standard error                        +/-           0.133884668946

  e-n interaction                    (au) =        -356.741117452296
  Standard error                        +/-           1.530178515817

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.442509951847
  Standard error                        +/-           0.083017479760

  Maximum distance from origin       (au) =           7.275768236047

  Particles affected per move       (%) :  99.9699


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.7093
 Acceptance ratio #2 <level 1>        (%)  =  51.4252
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1058
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7629
 Diffusion constant #1           (Bohr^2)  = 1.1522E-02
 Diffusion constant #2           (Bohr^2)  = 9.1027E-03
 Correlation time                 (steps)  = 4.2153E+00 +- 5.5693E-01
 Efficiency                  (au^-2 s^-1)  = 1.5173E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.859026145431
  Standard error                        +/-           0.015245681042

  Kinetic energy KEI (used in Total) (au) =         114.291916259087
  Standard error                        +/-           0.752005125803

  Kinetic energy TI                  (au) =         113.805711300520
  Standard error                        +/-           0.477470228323

  Kinetic energy FISQ                (au) =         113.319506341952
  Standard error                        +/-           0.611159535605

  Potential energy                   (au) =        -270.042528886358
  Standard error                        +/-           0.748843776798

  e-e interaction                    (au) =          78.543880363057
  Standard error                        +/-           0.099439683049

  e-n interaction                    (au) =        -348.586409249415
  Standard error                        +/-           0.799162603276

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.304953313266
  Standard error                        +/-           0.065174449593

  Maximum distance from origin       (au) =           8.644081890721

  Particles affected per move       (%) :  99.9420


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.9768
 Acceptance ratio #2 <level 1>        (%)  =  51.7410
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.2845
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1510
 Diffusion constant #1           (Bohr^2)  = 1.1275E-02
 Diffusion constant #2           (Bohr^2)  = 9.3241E-03
 Correlation time                 (steps)  = 3.7351E+00 +- 4.2320E-01
 Efficiency                  (au^-2 s^-1)  = 1.4796E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.806547950027
  Standard error                        +/-           0.018996294246

  Kinetic energy KEI (used in Total) (au) =         116.532061419293
  Standard error                        +/-           1.024431374669

  Kinetic energy TI                  (au) =         116.119021929366
  Standard error                        +/-           0.817414117318

  Kinetic energy FISQ                (au) =         115.705982439438
  Standard error                        +/-           1.338651750969

  Potential energy                   (au) =        -272.230195851161
  Standard error                        +/-           1.021480031914

  e-e interaction                    (au) =          77.860911217879
  Standard error                        +/-           0.106249180801

  e-n interaction                    (au) =        -350.091107069039
  Standard error                        +/-           1.066065217544

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.812348120752
  Standard error                        +/-           0.356228084123

  Maximum distance from origin       (au) =           7.623209710772

  Particles affected per move       (%) :  99.9275


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.7622
 Acceptance ratio #2 <level 1>        (%)  =  51.6399
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0948
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0075
 Diffusion constant #1           (Bohr^2)  = 1.0995E-02
 Diffusion constant #2           (Bohr^2)  = 9.0236E-03
 Correlation time                 (steps)  = 4.3378E+00 +- 6.6990E-01
 Efficiency                  (au^-2 s^-1)  = 1.3852E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.823078252252
  Standard error                        +/-           0.019591590987

  Kinetic energy KEI (used in Total) (au) =         118.374484396065
  Standard error                        +/-           0.779060711236

  Kinetic energy TI                  (au) =         115.832795482677
  Standard error                        +/-           0.451877639972

  Kinetic energy FISQ                (au) =         113.291106569289
  Standard error                        +/-           0.477889426034

  Potential energy                   (au) =        -274.089149130157
  Standard error                        +/-           0.778721758977

  e-e interaction                    (au) =          78.559957269125
  Standard error                        +/-           0.102588644716

  e-n interaction                    (au) =        -352.649106399282
  Standard error                        +/-           0.799215220640

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.666921396965
  Standard error                        +/-           0.261907477775

  Maximum distance from origin       (au) =           7.691384036485

  Particles affected per move       (%) :  99.9688


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.828904252155 +/- 0.005546551094      No correction
 -113.828904252155 +/- 0.010761544908      Correlation time method
 -113.828904252156 +/- 0.011134005820      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.828904252156 +/-       0.011134005820
    stderr:      0.011134005820 +/-       0.001137471065
    errfac:      2.003614289285 +/-       0.204693020316
    N_corr:      4.014470220227 +/-       0.820251720843
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.556961E-03   7.024567E-05
            2   6.491990E-03   1.160765E-04
            4   7.654424E-03   1.936123E-04
            8   9.017084E-03   3.227599E-04
           16   1.006871E-02   5.103397E-04
           32   1.070191E-02   7.690958E-04
           64   1.113401E-02   1.137471E-03  *** BEST ***
          128   1.102261E-02   1.609420E-03
          256   1.022380E-02   2.157615E-03
          512   8.750613E-03   2.736362E-03
         1024   2.373734E-03   1.170410E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.533803602328 +- 0.065421418333

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 17
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  8.94874168E-01    -5.56614813E-03     3.83144815E-01    -2.34375519E+00
     6.00433730E+00    -4.17790786E+00    -8.62028217E+00     1.65008940E+01
    -7.86657499E+00     1.70458743E+00     3.00765979E-03    -1.70263943E-02
     4.24938470E-02    -8.40734979E-02     1.38989234E-01    -1.53810015E-01
     1.00893834E-01    -3.58466510E-02     5.45391407E-03 Bm  2.21236532E+00
    -5.10836014E-02    -1.53772640E-01     3.25333607E-01    -1.85981880E-01
     3.42498393E-02    -6.12598356E-02    -9.14368467E-02     2.09890322E-01
    -1.11655222E-01     1.92773190E-02 BP  5.46258372E+00     7.57604294E-05
    -2.83945285E-05    -1.39272190E-04     5.03715103E-05     1.28195362E-05
    -4.08533423E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.66137250E+00     4.77713461E-03     3.78169656E-03    -5.29507452E-03
     8.33113830E-04     2.39749916E-03    -1.73694040E-03     4.85033978E-04
    -5.08949528E-05     9.22326271E-03     3.93974461E-03    -9.95916637E-03
     1.27015619E-02    -9.78450332E-03     4.45974391E-03    -1.07431274E-03
     1.04887330E-04 JX  3.36984009E+00    -2.79995514E-02     1.38962699E-03
     2.15653538E-02    -2.82601183E-02     1.42551498E-02    -2.41671877E-03
 Jf  2.95553710E+00    -1.22032637E-04     1.19910392E-03    -1.05813387E-03
    -3.64323385E-03     1.06205657E-03    -2.68874391E-04    -2.29759033E-03
     3.89967655E-04    -1.33447936E-04    -2.14421776E-04    -2.62028940E-04
     1.40105211E-03    -2.03070350E-03     6.20257894E-04     5.15793914E-04
    -1.62401709E-04    -3.37479251E-05     1.13822641E-05     1.92107881E-04
    -1.10366025E-04    -1.19512585E-04     2.50070995E-04    -1.16900143E-04
     8.89507548E-05    -2.38730864E-05     3.16857056E-05    -1.11577085E-04
    -3.41463932E-03     2.86899734E-03     3.42085596E-03    -2.48872211E-03
     8.28918954E-04     3.82366162E-03     3.51826198E-03    -8.84072037E-04
    -4.43067958E-05     1.38815328E-03    -2.26002870E-03    -6.60326503E-04
     8.93384924E-04    -1.77377355E-03     4.75194992E-04    -2.49564547E-04
     1.16204823E-03    -1.23112419E-03     2.38664361E-04     2.67271505E-03
    -8.50301722E-04    -2.08802595E-05     6.74323733E-04    -1.55043648E-04
     6.88133133E-05

    Unreweighted variance of energy (a.u.)  :   1.484671E+00
           Unreweighted mean energy (a.u.)  :  -1.138304E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.01357352E-01    -2.74984483E-03     2.61625413E-01    -1.54563934E+00
     3.41959668E+00    -1.61016079E+00    -4.76562237E+00     7.14758926E+00
    -2.92163370E+00     1.69532818E+00     2.99185389E-03    -2.41976097E-02
     8.09308901E-02    -1.58628153E-01     1.99088416E-01    -1.58547356E-01
     7.86467049E-02    -2.34631367E-02     3.46312952E-03 Bm  2.13918300E+00
     1.42451279E-02    -4.59818772E-01     7.36179192E-01    -4.01961114E-01
     7.28441726E-02     8.57444669E-03    -4.45346207E-01     7.19419455E-01
    -3.82425998E-01     6.62650462E-02 BP  4.75054080E+00     1.50561452E-04
    -5.99590318E-05    -2.37836277E-04     9.13057482E-05     1.01532618E-05
    -3.14405492E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67421098E+00     5.08617947E-03    -9.96178450E-05     9.99564348E-04
    -2.49532525E-03     2.15636062E-03    -8.42347233E-04     1.52666009E-04
    -9.64099988E-06     9.37202789E-03     1.58616746E-03    -4.77227716E-03
     7.00146243E-03    -6.02351655E-03     2.88905357E-03    -6.98703971E-04
     6.69968660E-05 JX  3.38667663E+00    -2.75273871E-02     4.87086461E-04
     2.70526395E-02    -3.69747459E-02     1.87818724E-02    -3.17273705E-03
 Jf  2.99992943E+00    -1.53244335E-04     2.85538860E-04    -5.42059753E-04
    -2.29485248E-03     1.03209266E-03    -5.16660778E-04     2.84536660E-04
     2.04073292E-04    -2.02602437E-05    -6.74577898E-04     7.48276077E-04
     1.93038159E-05    -6.08361193E-04     2.29724843E-04    -3.23447990E-05
    -1.48016011E-04     1.13660951E-04     2.86193405E-04    -9.40953678E-05
    -1.47328961E-04     5.47090186E-04    -1.97199836E-04     1.46808449E-06
     2.76093195E-04    -3.15319591E-05    -7.00275961E-06    -7.63465585E-05
    -3.47696008E-03     3.48555633E-03     3.97051503E-03    -3.27108420E-03
     1.30942919E-03     3.60331204E-03     4.45075806E-03    -1.07442158E-03
     9.50953968E-05     1.31756888E-03    -1.13007096E-03    -1.47187564E-03
     1.46700224E-03    -7.12846326E-04     1.12668470E-04    -2.20925964E-04
     1.62009019E-03    -2.04429122E-03     7.35051966E-04     3.72559664E-03
    -1.32019931E-03    -4.17730838E-05     5.78418087E-04    -4.10905809E-05
     3.16096412E-05

 Rejected step:
 Variance  :   1.484671E+00 ->   2.216253E+00
 Energy    :  -1.138304E+02 ->  -1.138271E+02

 Current parameters:
 Be  9.08771166E-01    -3.12137891E-03     3.46949173E-01    -2.27470795E+00
     5.73163958E+00    -3.72187505E+00    -7.95294965E+00     1.44030027E+01
    -6.62530877E+00     1.70091210E+00     2.39573798E-03    -1.60345077E-02
     4.40924603E-02    -8.70386888E-02     1.40318409E-01    -1.54577162E-01
     1.02261460E-01    -3.67640999E-02     5.62163941E-03 Bm  2.13689932E+00
    -3.08592271E-03    -3.40199827E-01     5.30669572E-01    -2.75617053E-01
     4.71771303E-02    -1.78379275E-02    -2.89463856E-01     4.58043417E-01
    -2.20744674E-01     3.29021457E-02 BP  5.20069469E+00     9.07245437E-05
    -3.48943960E-05    -1.67082164E-04     6.35742553E-05     1.65311637E-05
    -6.14670247E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.63977573E+00     5.18158738E-03     1.36052745E-03    -1.73971294E-03
    -1.16209291E-03     2.63059337E-03    -1.53134391E-03     3.94666174E-04
    -3.87238173E-05     9.59435642E-03     2.82832656E-03    -8.70326696E-03
     1.23441526E-02    -9.90855163E-03     4.47905104E-03    -1.04543947E-03
     9.82892294E-05 JX  3.40619291E+00    -2.67250861E-02     1.53496471E-03
     2.23874163E-02    -3.04745518E-02     1.54879640E-02    -2.61838586E-03
 Jf  2.92394913E+00    -1.54413862E-04     9.97899931E-04    -1.02339009E-03
    -3.48000777E-03     1.28605460E-03    -5.14178115E-04    -1.21983352E-03
     2.35819679E-04    -6.54270601E-05    -5.25511073E-04     9.34074172E-05
     9.73337067E-04    -1.53863591E-03     4.73297089E-04     4.29873833E-04
    -2.21477921E-04     6.79487217E-05     1.74499778E-04     7.06546945E-05
    -8.89721809E-05     6.15566844E-05     1.56563373E-04    -8.93384518E-05
     6.91617640E-05     2.42498888E-06     4.52293432E-06    -1.02694122E-04
    -3.71685531E-03     3.21540695E-03     4.09371042E-03    -2.91323116E-03
     1.02878878E-03     4.08117600E-03     3.73086041E-03    -1.08272244E-03
    -1.85035427E-05     1.25089742E-03    -1.89986770E-03    -5.18260650E-04
     8.94888164E-04    -1.71877994E-03     4.92640630E-04    -2.72333283E-04
     1.46454482E-03    -1.50554482E-03     4.13296026E-04     2.71249641E-03
    -8.89129090E-04    -1.53484231E-05     6.14492791E-04    -1.45396117E-04
     6.88576887E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.484671E+00 ->   1.372786E+00
           Unreweighted mean energy (a.u.)  :  -1.138304E+02 ->  -1.138306E+02


 Writing parameters to correlation.out.17.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m5s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.13731326E-01    -2.95249614E-03     3.49225973E-01    -2.29470355E+00
     5.65994960E+00    -3.46399877E+00    -7.76770595E+00     1.34270459E+01
    -5.97527859E+00     1.69851185E+00     2.40488816E-03    -1.65708166E-02
     4.66626462E-02    -9.10629422E-02     1.42136911E-01    -1.54081878E-01
     1.02746686E-01    -3.80189424E-02     6.07319677E-03 Bm  2.16772924E+00
     1.91676005E-02    -4.45489126E-01     6.99004198E-01    -3.79409517E-01
     6.90466796E-02     7.34562336E-03    -3.90980262E-01     6.03757048E-01
    -3.03568922E-01     4.94189692E-02 BP  5.23314113E+00     9.00796342E-05
    -3.45323041E-05    -1.62428587E-04     6.13991165E-05     1.63097729E-05
    -5.91227460E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.60369789E+00     5.28997503E-03     2.81354517E-04     7.79720835E-04
    -3.12291518E-03     3.06383652E-03    -1.31590259E-03     2.63958298E-04
    -1.93620388E-05     9.86603733E-03     2.54515945E-03    -7.88626431E-03
     1.16657049E-02    -9.71789121E-03     4.49361767E-03    -1.06250694E-03
     1.00962652E-04 JX  3.41992228E+00    -2.65760178E-02     1.08883184E-03
     2.37617552E-02    -3.21218501E-02     1.62843024E-02    -2.75662548E-03
 Jf  2.96885675E+00    -1.61124938E-04     6.84477393E-04    -8.76543379E-04
    -3.05585043E-03     1.31618854E-03    -5.84011479E-04    -4.44782491E-04
     3.13623791E-06    -3.14895470E-05    -6.25466297E-04     4.57670901E-04
     5.52723122E-04    -1.03063391E-03     2.82491162E-04     4.75408974E-04
    -2.94354019E-04     1.53760108E-04     2.41721444E-04    -1.77609887E-05
    -1.26444047E-04     2.36761799E-04     1.42869077E-05    -3.91971729E-05
     6.76940103E-05     2.75805473E-05    -2.38888815E-05    -9.02054962E-05
    -3.62556621E-03     3.34876231E-03     4.35946404E-03    -3.25843046E-03
     1.28161980E-03     3.87477691E-03     3.96615975E-03    -1.05071007E-03
     6.01906394E-05     1.20224868E-03    -1.59296503E-03    -5.68903697E-04
     9.80788699E-04    -1.63491157E-03     5.06950948E-04    -3.33147231E-04
     1.48727996E-03    -1.67785546E-03     5.45428533E-04     2.86875156E-03
    -9.72311991E-04    -1.76572718E-05     5.50235446E-04    -1.20482124E-04
     6.87952540E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.372786E+00 ->   1.335247E+00
           Unreweighted mean energy (a.u.)  :  -1.138306E+02 ->  -1.138327E+02


 Writing parameters to correlation.out.17.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 3

 Current parameters:
 Be  9.15130707E-01    -3.04790814E-03     3.63855335E-01    -2.34117610E+00
     5.60545373E+00    -3.21319481E+00    -7.65938847E+00     1.26917116E+01
    -5.49499240E+00     1.69852239E+00     2.55899515E-03    -1.82693289E-02
     5.29600043E-02    -9.99195576E-02     1.44843499E-01    -1.50851960E-01
     1.01720382E-01    -3.94685478E-02     6.70738332E-03 Bm  2.35780881E+00
     2.14717422E-02    -4.52084124E-01     7.22195949E-01    -3.98337400E-01
     7.37039134E-02     1.41908922E-02    -4.17219928E-01     6.57425291E-01
    -3.42704630E-01     5.81008199E-02 BP  4.96558225E+00     1.11491161E-04
    -4.28899341E-05    -2.04693894E-04     7.76740654E-05     2.10798823E-05
    -7.71628078E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.56705484E+00     5.52174602E-03    -4.09519694E-04     2.27401455E-03
    -4.29897139E-03     3.25459072E-03    -1.10265832E-03     1.51581852E-04
    -3.07278348E-06     1.02290075E-02     2.25083171E-03    -7.07062586E-03
     1.07833996E-02    -9.35365510E-03     4.49037627E-03    -1.09807024E-03
     1.07895370E-04 JX  3.42430070E+00    -2.65007330E-02     8.61444707E-04
     2.46573017E-02    -3.32497517E-02     1.68269348E-02    -2.84549163E-03
 Jf  2.99031043E+00    -1.50787821E-04     5.05362935E-04    -7.71216894E-04
    -2.57777121E-03     1.14582479E-03    -5.27839133E-04    -1.74408422E-04
    -1.11054370E-04    -2.62887444E-05    -6.40167367E-04     5.96650895E-04
     3.54915539E-04    -9.89820285E-04     2.42416763E-04     4.86851117E-04
    -2.46545175E-04     1.30632426E-04     2.43122768E-04    -2.85722234E-05
    -1.57791676E-04     3.76107110E-04    -5.65887861E-05    -2.00134147E-05
     1.30769999E-04    -1.51423997E-06    -1.19317380E-05    -8.14943851E-05
    -3.48296140E-03     3.33359162E-03     4.01559494E-03    -3.12291199E-03
     1.21106686E-03     3.67907248E-03     4.15944024E-03    -1.03853535E-03
     7.21689659E-05     1.20610129E-03    -1.41383948E-03    -8.23753526E-04
     1.14461887E-03    -1.46468686E-03     3.87679637E-04    -2.88520766E-04
     1.49731602E-03    -1.76015382E-03     5.95507152E-04     3.09536052E-03
    -1.08167444E-03    -2.62989478E-05     6.02948007E-04    -1.04180180E-04
     5.79031697E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.335247E+00 ->   1.335090E+00
           Unreweighted mean energy (a.u.)  :  -1.138327E+02 ->  -1.138293E+02


 Writing parameters to correlation.out.17.

 Current parameters:
 Be  7.07702962E-01     9.23277633E-05     5.77889163E-01    -4.97077916E+00
     1.56676833E+01    -1.24838886E+01    -3.59382187E+01     8.06271530E+01
    -4.52934652E+01     1.04892023E+00     4.17471936E-04    -2.49748000E-02
     1.25355173E-01    -3.83603119E-01     9.79975533E-01    -1.71396775E+00
     1.85185708E+00    -1.11273214E+00     2.81955347E-01 Bm  2.35235585E+00
    -9.81204400E-02    -3.66711006E-01     5.29236689E-01    -2.45991861E-01
     3.98704147E-02    -1.56470385E-01    -2.93488832E-01     4.66555846E-01
    -2.00544027E-01     2.39513130E-02 BP  6.89855971E+00     3.80370940E-05
    -1.18273554E-05    -5.34035732E-05     1.55156121E-05     4.23219218E-06
    -1.09393657E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.65973327E+00    -1.55889555E-04    -6.32179912E-03    -1.52050302E-04
    -2.83740261E-03     3.26514992E-03    -1.25646402E-03     2.68514911E-04
    -2.67210226E-05     9.13849975E-03    -6.67048379E-03    -8.18277603E-03
     1.20353731E-02    -9.56807949E-03     4.52455839E-03    -1.06116608E-03
     9.93311206E-05 JX  4.14796059E+00    -5.01691654E-02    -1.88088815E-02
     1.26566371E-02    -3.31666521E-02     1.72781229E-02    -1.70510305E-03
 Jf  4.31139255E+00    -4.12887153E-04     6.99935726E-04    -1.19614794E-03
    -3.23625235E-03     1.22976818E-03    -5.84189995E-04    -7.22354447E-04
    -6.86200461E-05     3.51823367E-05    -2.46974283E-04     3.70371971E-04
     3.16695786E-04    -1.01456506E-03     2.58193283E-04     3.96644147E-04
    -3.16981632E-04     1.28102088E-04     1.80182556E-04    -8.87427529E-05
     2.04913699E-04     4.18443143E-04     9.78595999E-06    -2.81633800E-05
     5.79388084E-05     2.30927035E-05    -3.18406976E-05    -1.04375959E-04
    -3.54486231E-03     3.13709798E-03     4.93031177E-03    -3.44899318E-03
     1.05122223E-03     2.92272662E-03     4.07336399E-03     3.69868185E-05
     1.99719734E-04     1.28338735E-03    -1.52394780E-03    -5.70614448E-04
     9.43053877E-04    -1.82436674E-03     4.58428225E-04    -3.60330288E-04
     1.01192679E-03    -1.67713170E-03     8.71556934E-04     3.15262595E-03
    -9.78235338E-04    -8.68442336E-06     5.33208180E-04    -1.20815406E-04
     7.32542125E-05

 Rejected step:
 Variance  :   1.335090E+00 ->   4.905609E+08
 Energy    :  -1.138293E+02 ->  -1.172724E+05

 Computing derivatives.
  [CPU time: 1m elapsed, 3m5s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 7
 NL2SOL iteration     : 4

 Current parameters:
 Be  9.15130688E-01    -3.04790814E-03     3.63855350E-01    -2.34117624E+00
     5.60545418E+00    -3.21319513E+00    -7.65938939E+00     1.26917134E+01
    -5.49499328E+00     1.69852239E+00     2.55899515E-03    -1.82693289E-02
     5.29600043E-02    -9.99195573E-02     1.44843498E-01    -1.50851959E-01
     1.01720381E-01    -3.94685476E-02     6.70738326E-03 Bm  2.35780881E+00
     2.14717423E-02    -4.52084123E-01     7.22195948E-01    -3.98337398E-01
     7.37039133E-02     1.41908922E-02    -4.17219927E-01     6.57425291E-01
    -3.42704629E-01     5.81008197E-02 BP  4.96558226E+00     1.11491161E-04
    -4.28899341E-05    -2.04693894E-04     7.76740653E-05     2.10798823E-05
    -7.71628077E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.56705488E+00     4.25111447E-02     8.09618187E-03     9.30019026E-03
     7.92826073E-03    -2.22581461E-03    -1.09167905E-03     2.06444614E-04
    -2.02835178E-05     3.87232174E-02     9.49344357E-03     3.10464360E-02
     2.43956784E-02    -2.38247576E-02     5.66740749E-03    -3.40726576E-04
    -4.48530833E-05 JX  5.76184013E-02     4.05792730E-02    -1.22661045E-04
     3.01664663E-01     4.82986710E-02    -3.70616994E-02    -1.11407361E-02
 Jf  3.03732681E+00    -7.38576492E-04     3.30736245E-05     4.54435658E-03
    -5.37563079E-03     2.11974031E-03    -6.04338782E-04    -4.09967822E-04
    -7.32044441E-04    -1.22466887E-03    -2.79933443E-03     2.25981272E-03
     1.19560792E-03    -5.74965608E-04     8.49178876E-05     2.76782091E-04
     4.65114931E-04     3.99961745E-04    -1.49928177E-04    -7.21269125E-05
    -8.07337044E-04    -1.15490052E-05    -1.49811439E-04    -1.14874126E-04
     6.71181231E-05    -1.91951351E-05    -1.31011012E-05    -3.72512660E-04
    -1.67052434E-02     1.40706266E-02     1.74595038E-03     8.11172365E-04
     8.80013264E-04     1.76731383E-02     5.24719594E-03    -1.43879911E-02
    -5.00331024E-04    -1.42288907E-03    -3.60217235E-03    -3.74776046E-04
     8.32221229E-04     7.87963138E-04     2.97524463E-04     1.62607837E-04
     1.21260272E-02    -2.47516536E-03    -3.57651182E-03     8.22231627E-05
     3.30102587E-04    -1.62633309E-04     6.15166354E-04    -2.37733038E-04
     8.43650491E-05

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 4
 Function evaluations : 11
 Variance reduced to  : 0.13350902E+01

 Writing parameters to correlation.out.17.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 18
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m5s remaining]
  DTVMC #1:   1.4420E-01 (optimized)
  DTVMC #2:   1.1831E-01 (optimized)
 Done. [total CPU time: 5m5s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: good.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.7272
 Acceptance ratio #2 <level 1>        (%)  =  51.7971
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0599
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0661
 Diffusion constant #1           (Bohr^2)  = 1.1350E-02
 Diffusion constant #2           (Bohr^2)  = 9.0637E-03
 Correlation time                 (steps)  = 3.8633E+00 +- 5.2468E-01
 Efficiency                  (au^-2 s^-1)  = 1.4386E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.823603628188
  Standard error                        +/-           0.019730726099

  Kinetic energy KEI (used in Total) (au) =         114.657936581955
  Standard error                        +/-           0.884959584656

  Kinetic energy TI                  (au) =         113.802656302346
  Standard error                        +/-           0.604197701701

  Kinetic energy FISQ                (au) =         112.947376022736
  Standard error                        +/-           0.848780657533

  Potential energy                   (au) =        -270.373126691984
  Standard error                        +/-           0.886322999533

  e-e interaction                    (au) =          78.055006236437
  Standard error                        +/-           0.101109614983

  e-n interaction                    (au) =        -348.428132928421
  Standard error                        +/-           0.911824777505

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.802221412086
  Standard error                        +/-           0.515677371431

  Maximum distance from origin       (au) =           8.314993939806

  Particles affected per move       (%) :  99.8983


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.5206
 Acceptance ratio #2 <level 1>        (%)  =  51.6673
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8263
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9875
 Diffusion constant #1           (Bohr^2)  = 1.1482E-02
 Diffusion constant #2           (Bohr^2)  = 9.0579E-03
 Correlation time                 (steps)  = 3.7058E+00 +- 4.0985E-01
 Efficiency                  (au^-2 s^-1)  = 1.7405E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.834718801452
  Standard error                        +/-           0.016013458369

  Kinetic energy KEI (used in Total) (au) =         119.695353789449
  Standard error                        +/-           1.561708933046

  Kinetic energy TI                  (au) =         116.158610431969
  Standard error                        +/-           0.839942351732

  Kinetic energy FISQ                (au) =         112.621867074489
  Standard error                        +/-           0.612263547927

  Potential energy                   (au) =        -275.421659072741
  Standard error                        +/-           1.563469703815

  e-e interaction                    (au) =          77.954607959732
  Standard error                        +/-           0.085950645228

  e-n interaction                    (au) =        -353.376267032473
  Standard error                        +/-           1.591395877688

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.294114358742
  Standard error                        +/-           0.099156296607

  Maximum distance from origin       (au) =           7.960001856599

  Particles affected per move       (%) :  99.8157


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.7532
 Acceptance ratio #2 <level 1>        (%)  =  51.6611
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9850
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9376
 Diffusion constant #1           (Bohr^2)  = 1.1596E-02
 Diffusion constant #2           (Bohr^2)  = 9.0096E-03
 Correlation time                 (steps)  = 4.9557E+00 +- 6.6712E-01
 Efficiency                  (au^-2 s^-1)  = 1.5841E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.816826243092
  Standard error                        +/-           0.015886706533

  Kinetic energy KEI (used in Total) (au) =         114.700575251751
  Standard error                        +/-           1.249872787394

  Kinetic energy TI                  (au) =         113.592658407783
  Standard error                        +/-           0.679732033664

  Kinetic energy FISQ                (au) =         112.484741563814
  Standard error                        +/-           0.539175066765

  Potential energy                   (au) =        -270.408987976684
  Standard error                        +/-           1.249829319323

  e-e interaction                    (au) =          78.369331308528
  Standard error                        +/-           0.102085859036

  e-n interaction                    (au) =        -348.778319285212
  Standard error                        +/-           1.270150719702

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.275840331670
  Standard error                        +/-           0.060474663821

  Maximum distance from origin       (au) =           7.298506423121

  Particles affected per move       (%) :  99.8586


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.5885
 Acceptance ratio #2 <level 1>        (%)  =  51.6798
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9591
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9538
 Diffusion constant #1           (Bohr^2)  = 1.0986E-02
 Diffusion constant #2           (Bohr^2)  = 9.4011E-03
 Correlation time                 (steps)  = 3.5255E+00 +- 3.8732E-01
 Efficiency                  (au^-2 s^-1)  = 1.8885E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.824319203500
  Standard error                        +/-           0.016765850720

  Kinetic energy KEI (used in Total) (au) =         106.949822455875
  Standard error                        +/-           1.040923941068

  Kinetic energy TI                  (au) =         109.912501073024
  Standard error                        +/-           0.570237091590

  Kinetic energy FISQ                (au) =         112.875179690172
  Standard error                        +/-           0.500342687674

  Potential energy                   (au) =        -262.665728141216
  Standard error                        +/-           1.040703722706

  e-e interaction                    (au) =          78.083456628141
  Standard error                        +/-           0.106158888548

  e-n interaction                    (au) =        -340.749184769357
  Standard error                        +/-           1.086930220848

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.504373719353
  Standard error                        +/-           0.124973433762

  Maximum distance from origin       (au) =           7.180447973687

  Particles affected per move       (%) :  99.7901


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.4077
 Acceptance ratio #2 <level 1>        (%)  =  51.7522
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7454
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0749
 Diffusion constant #1           (Bohr^2)  = 1.1292E-02
 Diffusion constant #2           (Bohr^2)  = 9.4995E-03
 Correlation time                 (steps)  = 4.6780E+00 +- 7.4213E-01
 Efficiency                  (au^-2 s^-1)  = 1.1243E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.865933110781
  Standard error                        +/-           0.016903497303

  Kinetic energy KEI (used in Total) (au) =         109.917805447281
  Standard error                        +/-           0.796805124153

  Kinetic energy TI                  (au) =         111.216763039093
  Standard error                        +/-           0.458576655866

  Kinetic energy FISQ                (au) =         112.515720630905
  Standard error                        +/-           0.466684700916

  Potential energy                   (au) =        -265.675325039902
  Standard error                        +/-           0.797486230989

  e-e interaction                    (au) =          78.022666032526
  Standard error                        +/-           0.089169041132

  e-n interaction                    (au) =        -343.697991072428
  Standard error                        +/-           0.839341352222

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.586947383344
  Standard error                        +/-           0.175169706345

  Maximum distance from origin       (au) =           7.433240884470

  Particles affected per move       (%) :  99.9191


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.6983
 Acceptance ratio #2 <level 1>        (%)  =  51.4152
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0120
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7055
 Diffusion constant #1           (Bohr^2)  = 1.0909E-02
 Diffusion constant #2           (Bohr^2)  = 9.0707E-03
 Correlation time                 (steps)  = 5.3772E+00 +- 8.1858E-01
 Efficiency                  (au^-2 s^-1)  = 1.3271E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.804406426656
  Standard error                        +/-           0.015922041883

  Kinetic energy KEI (used in Total) (au) =         121.509398900832
  Standard error                        +/-           0.930153818879

  Kinetic energy TI                  (au) =         117.580168857172
  Standard error                        +/-           0.593996895480

  Kinetic energy FISQ                (au) =         113.650938813511
  Standard error                        +/-           0.701447786287

  Potential energy                   (au) =        -277.205391809329
  Standard error                        +/-           0.928868004282

  e-e interaction                    (au) =          78.346672366585
  Standard error                        +/-           0.091123895280

  e-n interaction                    (au) =        -355.552064175914
  Standard error                        +/-           0.931925953923

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.403564313105
  Standard error                        +/-           0.119981608555

  Maximum distance from origin       (au) =           9.505631767894

  Particles affected per move       (%) :  99.8017


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.7532
 Acceptance ratio #2 <level 1>        (%)  =  51.2530
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9840
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.5669
 Diffusion constant #1           (Bohr^2)  = 1.1454E-02
 Diffusion constant #2           (Bohr^2)  = 9.0317E-03
 Correlation time                 (steps)  = 4.1062E+00 +- 5.5737E-01
 Efficiency                  (au^-2 s^-1)  = 1.9816E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.820528697629
  Standard error                        +/-           0.016395558375

  Kinetic energy KEI (used in Total) (au) =         114.978143458680
  Standard error                        +/-           1.222955642118

  Kinetic energy TI                  (au) =         114.253062813147
  Standard error                        +/-           0.691963555646

  Kinetic energy FISQ                (au) =         113.527982167614
  Standard error                        +/-           0.658993357874

  Potential energy                   (au) =        -270.690258638149
  Standard error                        +/-           1.224024329176

  e-e interaction                    (au) =          78.488363402754
  Standard error                        +/-           0.114596516579

  e-n interaction                    (au) =        -349.178622040904
  Standard error                        +/-           1.284318066796

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.230920718420
  Standard error                        +/-           0.065277584359

  Maximum distance from origin       (au) =           7.227211745343

  Particles affected per move       (%) :  99.9586


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.4357
 Acceptance ratio #2 <level 1>        (%)  =  51.8371
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7224
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1198
 Diffusion constant #1           (Bohr^2)  = 1.1227E-02
 Diffusion constant #2           (Bohr^2)  = 8.9853E-03
 Correlation time                 (steps)  = 3.6189E+00 +- 4.2152E-01
 Efficiency                  (au^-2 s^-1)  = 1.2072E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.828789956104
  Standard error                        +/-           0.021389706002

  Kinetic energy KEI (used in Total) (au) =         125.703253729824
  Standard error                        +/-           1.459818917533

  Kinetic energy TI                  (au) =         119.432248255577
  Standard error                        +/-           0.772494237517

  Kinetic energy FISQ                (au) =         113.161242781329
  Standard error                        +/-           0.502122948217

  Potential energy                   (au) =        -281.423630167768
  Standard error                        +/-           1.458762998932

  e-e interaction                    (au) =          78.402802273463
  Standard error                        +/-           0.123421684074

  e-n interaction                    (au) =        -359.826432441232
  Standard error                        +/-           1.483962419859

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.910613697272
  Standard error                        +/-           0.164480292333

  Maximum distance from origin       (au) =           7.434601627466

  Particles affected per move       (%) :  99.8597


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  52.0098
 Acceptance ratio #2 <level 1>        (%)  =  51.6935
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.4173
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8702
 Diffusion constant #1           (Bohr^2)  = 1.1135E-02
 Diffusion constant #2           (Bohr^2)  = 9.2468E-03
 Correlation time                 (steps)  = 3.4515E+00 +- 5.3407E-01
 Efficiency                  (au^-2 s^-1)  = 1.8897E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.878205780145
  Standard error                        +/-           0.017514863643

  Kinetic energy KEI (used in Total) (au) =         110.201059440308
  Standard error                        +/-           0.882413449167

  Kinetic energy TI                  (au) =         112.049873454315
  Standard error                        +/-           0.570781587748

  Kinetic energy FISQ                (au) =         113.898687468323
  Standard error                        +/-           0.759452110369

  Potential energy                   (au) =        -265.970851702293
  Standard error                        +/-           0.881631768705

  e-e interaction                    (au) =          78.263298703984
  Standard error                        +/-           0.089357320625

  e-n interaction                    (au) =        -344.234150406278
  Standard error                        +/-           0.905365129602

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.535651462066
  Standard error                        +/-           0.171677364494

  Maximum distance from origin       (au) =           7.593888756699

  Particles affected per move       (%) :  99.8315


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.7602
 Acceptance ratio #2 <level 1>        (%)  =  51.4040
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0599
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7092
 Diffusion constant #1           (Bohr^2)  = 1.0977E-02
 Diffusion constant #2           (Bohr^2)  = 9.0337E-03
 Correlation time                 (steps)  = 4.8194E+00 +- 1.0277E+00
 Efficiency                  (au^-2 s^-1)  = 1.4015E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.861029578151
  Standard error                        +/-           0.016479982239

  Kinetic energy KEI (used in Total) (au) =         132.476875187128
  Standard error                        +/-           1.478160507255

  Kinetic energy TI                  (au) =         122.759074865205
  Standard error                        +/-           0.802870964155

  Kinetic energy FISQ                (au) =         113.041274543282
  Standard error                        +/-           0.540491980112

  Potential energy                   (au) =        -288.229491247119
  Standard error                        +/-           1.477754035066

  e-e interaction                    (au) =          78.482097028544
  Standard error                        +/-           0.081005017405

  e-n interaction                    (au) =        -366.711588275663
  Standard error                        +/-           1.489837541009

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.482889115604
  Standard error                        +/-           0.064416423210

  Maximum distance from origin       (au) =           7.318942597387

  Particles affected per move       (%) :  99.9033


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.835836142570 +/- 0.005498775203      No correction
 -113.835836142570 +/- 0.011282731681      Correlation time method
 -113.835836142570 +/- 0.011399479674      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.835836142570 +/-       0.011399479674
    stderr:      0.011399479674 +/-       0.001164592375
    errfac:      2.070498908024 +/-       0.211526079301
    N_corr:      4.286965728127 +/-       0.875929032422
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.505668E-03   6.959728E-05
            2   6.555646E-03   1.172147E-04
            4   7.732800E-03   1.955948E-04
            8   9.075107E-03   3.248369E-04
           16   1.032468E-02   5.233141E-04
           32   1.047193E-02   7.525684E-04
           64   1.139948E-02   1.164592E-03  *** BEST ***
          128   1.082156E-02   1.580063E-03
          256   9.836825E-03   2.075948E-03
          512   1.349063E-02   4.218591E-03
         1024   1.644187E-02   8.106943E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.502713651166 +- 0.070186299150

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 18
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  9.15130707E-01    -3.04790814E-03     3.63855335E-01    -2.34117610E+00
     5.60545373E+00    -3.21319481E+00    -7.65938847E+00     1.26917116E+01
    -5.49499240E+00     1.69852239E+00     2.55899515E-03    -1.82693289E-02
     5.29600043E-02    -9.99195576E-02     1.44843499E-01    -1.50851960E-01
     1.01720382E-01    -3.94685478E-02     6.70738332E-03 Bm  2.35780881E+00
     2.14717422E-02    -4.52084124E-01     7.22195949E-01    -3.98337400E-01
     7.37039134E-02     1.41908922E-02    -4.17219928E-01     6.57425291E-01
    -3.42704630E-01     5.81008199E-02 BP  4.96558225E+00     1.11491161E-04
    -4.28899341E-05    -2.04693894E-04     7.76740654E-05     2.10798823E-05
    -7.71628078E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.56705484E+00     5.52174602E-03    -4.09519694E-04     2.27401455E-03
    -4.29897139E-03     3.25459072E-03    -1.10265832E-03     1.51581852E-04
    -3.07278348E-06     1.02290075E-02     2.25083171E-03    -7.07062586E-03
     1.07833996E-02    -9.35365510E-03     4.49037627E-03    -1.09807024E-03
     1.07895370E-04 JX  3.42430070E+00    -2.65007330E-02     8.61444707E-04
     2.46573017E-02    -3.32497517E-02     1.68269348E-02    -2.84549163E-03
 Jf  2.99031043E+00    -1.50787821E-04     5.05362935E-04    -7.71216894E-04
    -2.57777121E-03     1.14582479E-03    -5.27839133E-04    -1.74408422E-04
    -1.11054370E-04    -2.62887444E-05    -6.40167367E-04     5.96650895E-04
     3.54915539E-04    -9.89820285E-04     2.42416763E-04     4.86851117E-04
    -2.46545175E-04     1.30632426E-04     2.43122768E-04    -2.85722234E-05
    -1.57791676E-04     3.76107110E-04    -5.65887861E-05    -2.00134147E-05
     1.30769999E-04    -1.51423997E-06    -1.19317380E-05    -8.14943851E-05
    -3.48296140E-03     3.33359162E-03     4.01559494E-03    -3.12291199E-03
     1.21106686E-03     3.67907248E-03     4.15944024E-03    -1.03853535E-03
     7.21689659E-05     1.20610129E-03    -1.41383948E-03    -8.23753526E-04
     1.14461887E-03    -1.46468686E-03     3.87679637E-04    -2.88520766E-04
     1.49731602E-03    -1.76015382E-03     5.95507152E-04     3.09536052E-03
    -1.08167444E-03    -2.62989478E-05     6.02948007E-04    -1.04180180E-04
     5.79031697E-05

    Unreweighted variance of energy (a.u.)  :   1.403303E+00
           Unreweighted mean energy (a.u.)  :  -1.138365E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m4s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.40067368E-01    -7.73202672E-03     5.55512287E-01    -2.58532557E+00
     4.79133206E+00    -1.95705804E+00    -5.67855871E+00     8.09608843E+00
    -3.23318832E+00     1.67209242E+00     1.42501746E-03    -1.06488311E-02
     3.82814061E-02    -9.85450147E-02     1.74491204E-01    -1.84828045E-01
     1.02366487E-01    -2.28953497E-02     2.27634285E-04 Bm  2.36277530E+00
     1.02535013E-02    -4.20295272E-01     6.80341201E-01    -3.64625542E-01
     6.44661937E-02     2.52041157E-03    -3.34347674E-01     5.33484628E-01
    -2.81937901E-01     4.92565370E-02 BP  5.51944129E+00     5.93260565E-05
    -2.35064619E-05    -1.08892239E-04     4.29273413E-05     8.99409625E-06
    -3.66347582E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.60368332E+00     5.32278144E-03     4.44338518E-03    -1.16473209E-02
     1.23332618E-02    -7.28064491E-03     2.60343069E-03    -5.24585658E-04
     4.57540821E-05     9.64628854E-03     3.67387280E-03    -1.03459064E-02
     1.37559361E-02    -1.03247127E-02     4.36705732E-03    -9.58923039E-04
     8.55728485E-05 JX  3.42040664E+00    -2.58990543E-02     1.54247340E-04
     2.18898366E-02    -2.79328376E-02     1.40192147E-02    -2.36459113E-03
 Jf  2.99354565E+00    -1.35700913E-04    -1.82150257E-04    -3.43725955E-04
    -1.62929444E-03     4.88956389E-04    -1.70544548E-04     1.11672784E-03
     6.51476680E-04     2.28356133E-04    -8.87509588E-04     1.18772749E-03
    -1.63455069E-03     4.73018444E-04     8.83149823E-05    -1.91699340E-03
     4.36519127E-04    -1.51866308E-04    -9.88914025E-05     4.84807885E-04
    -5.31229408E-04     4.67173308E-04    -4.10125632E-04     5.90127222E-05
     8.94603197E-04    -2.37351365E-04     7.75164669E-05    -7.72732202E-05
    -3.53271063E-03     3.37805867E-03     3.95238187E-03    -3.13474382E-03
     1.21190911E-03     4.00528811E-03     4.56343003E-03    -9.10544160E-04
    -9.14648893E-05     1.48307237E-03    -1.90139243E-03    -4.44262438E-04
     1.25064704E-03    -2.33355078E-03     5.85513902E-04    -3.86441810E-04
     1.38342391E-03    -1.64382007E-03     5.08674156E-04     3.40689093E-03
    -1.41607203E-03     1.09035008E-05     1.10124181E-03    -2.32440317E-04
     1.05753007E-04

 Rejected step:
 Variance  :   1.403303E+00 ->   1.564689E+00
 Energy    :  -1.138365E+02 ->  -1.138191E+02

 Current parameters:
 Be  9.48503619E-01    -5.21760995E-03     4.36504093E-01    -2.28558950E+00
     4.76583123E+00    -2.41733698E+00    -5.94690657E+00     9.40882145E+00
    -3.99557875E+00     1.66930754E+00     1.63223852E-03    -1.27861215E-02
     4.35689789E-02    -9.66345954E-02     1.55649464E-01    -1.71181135E-01
     1.13473342E-01    -3.88146948E-02     4.98952425E-03 Bm  2.36318397E+00
     8.59443468E-03    -4.21295228E-01     6.88703462E-01    -3.71075500E-01
     6.58329238E-02     1.94240904E-03    -3.40200513E-01     5.48654497E-01
    -2.92093273E-01     5.13100116E-02 BP  5.25777943E+00     8.60417463E-05
    -3.31223265E-05    -1.57666160E-04     6.08928195E-05     1.39150417E-05
    -5.49422580E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.60491213E+00     5.40781329E-03     9.07919352E-04    -1.09493528E-03
    -1.42843280E-03     2.22278503E-03    -1.01574509E-03     1.95416798E-04
    -1.29982945E-05     9.62463641E-03     3.58057261E-03    -9.87812319E-03
     1.31876187E-02    -1.00571196E-02     4.33527952E-03    -9.69628961E-04
     8.79698395E-05 JX  3.41717020E+00    -2.60927999E-02    -5.53700462E-05
     2.31958504E-02    -2.97601662E-02     1.49190936E-02    -2.50923617E-03
 Jf  3.00530410E+00    -1.24328455E-04     8.46847056E-05    -7.49026089E-04
    -1.78234522E-03     7.83973510E-04    -2.98378063E-04     5.49834158E-04
    -4.44421201E-04     1.18608085E-04    -8.23064818E-04     1.09341630E-03
    -6.21119537E-04    -7.73015712E-04     1.20418413E-04     2.61894952E-04
    -7.24545617E-05     2.26404281E-05     6.61813987E-05     2.26735049E-04
    -3.96048728E-04     5.59975399E-04    -1.77668227E-04     1.70812759E-05
     2.92673968E-04    -6.16362422E-05     1.60162773E-05    -7.69731854E-05
    -3.41473583E-03     3.13246818E-03     3.93816173E-03    -2.97231999E-03
     1.14250457E-03     3.85141080E-03     3.90258469E-03    -8.93504480E-04
    -8.39070935E-05     1.45841426E-03    -1.65203596E-03    -7.63871213E-04
     1.13866170E-03    -1.50728215E-03     4.28689275E-04    -3.26724943E-04
     1.36661410E-03    -1.63879483E-03     5.06750481E-04     3.27550503E-03
    -1.24905504E-03     2.01541578E-06     8.09923312E-04    -1.63697209E-04
     8.28391891E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.403303E+00 ->   1.350241E+00
           Unreweighted mean energy (a.u.)  :  -1.138365E+02 ->  -1.138324E+02


 Writing parameters to correlation.out.18.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.58279413E-01    -6.30939340E-03     4.93629994E-01    -2.40842759E+00
     4.59323023E+00    -1.88988228E+00    -5.52169667E+00     7.73201141E+00
    -2.99528401E+00     1.74168759E+00     1.37927977E-03    -1.01104665E-02
     3.38688746E-02    -7.93183345E-02     1.33708962E-01    -1.43509674E-01
     8.68058699E-02    -2.53403154E-02     2.42777769E-03 Bm  2.31312064E+00
    -1.40203411E-03    -3.89167141E-01     6.39401342E-01    -3.39986967E-01
     5.88834585E-02    -4.98961597E-04    -3.23397809E-01     5.09659015E-01
    -2.63764680E-01     4.47734436E-02 BP  6.55636341E+00     3.42635347E-05
    -1.37585473E-05    -5.93907061E-05     2.30062359E-05     4.14893614E-06
    -1.61034392E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.67865231E+00     5.14051656E-03     1.95819314E-03    -3.92070905E-03
     1.84083501E-03     3.37278709E-04    -4.86922995E-04     1.36089778E-04
    -1.25042020E-05     9.10635034E-03     3.41179762E-03    -9.66879009E-03
     1.29790151E-02    -9.82178147E-03     4.17838971E-03    -9.21138194E-04
     8.23921446E-05 JX  3.41397199E+00    -2.60657738E-02     2.25627105E-04
     2.17647598E-02    -2.78659698E-02     1.39700129E-02    -2.34976635E-03
 Jf  3.04540161E+00    -1.05075014E-04    -1.13928596E-04    -4.54670653E-04
    -1.25279366E-03     4.80969267E-04    -1.70959886E-04     8.40216671E-04
    -1.91172237E-05     1.46102469E-04    -7.67645966E-04     1.07040996E-03
    -9.36907464E-04    -2.77483677E-04     1.12431163E-04    -5.03322155E-04
     1.23113004E-04    -5.18442530E-05     2.25255098E-05     2.35706902E-04
    -3.66782722E-04     5.66962815E-04    -2.80744489E-04     3.18343186E-05
     4.75506571E-04    -1.16919337E-04     3.73195932E-05    -6.38653260E-05
    -3.15359360E-03     2.97569430E-03     3.54176904E-03    -2.75481211E-03
     1.06382625E-03     3.58494821E-03     3.90201561E-03    -8.17907982E-04
    -9.12535934E-05     1.39963940E-03    -1.61833656E-03    -5.59776079E-04
     1.11926893E-03    -1.75970986E-03     4.35015322E-04    -3.09569953E-04
     1.25261193E-03    -1.51600718E-03     4.62472840E-04     3.12088341E-03
    -1.26978057E-03     1.04304514E-05     9.20182428E-04    -1.82663241E-04
     8.28793629E-05

 Rejected step:
 Variance  :   1.350241E+00 ->   3.427978E+00
 Energy    :  -1.138324E+02 ->  -1.137883E+02

 Current parameters:
 Be  9.61011622E-01    -4.97461220E-03     4.21800431E-01    -2.20477201E+00
     4.54061563E+00    -2.23347356E+00    -5.52657578E+00     8.47359359E+00
    -3.48372667E+00     1.74727523E+00     1.51333874E-03    -1.16879466E-02
     3.89564370E-02    -8.38844510E-02     1.29975338E-01    -1.36451555E-01
     8.61483524E-02    -2.81140535E-02     3.45873324E-03 Bm  2.32351516E+00
     1.13642547E-02    -4.46541756E-01     7.25105651E-01    -3.88959560E-01
     6.83624956E-02     9.69643980E-03    -3.71184805E-01     5.82469799E-01
    -3.05655694E-01     5.28832078E-02 BP  5.40772954E+00     7.76669372E-05
    -2.97191905E-05    -1.39575899E-04     5.37395887E-05     1.17428413E-05
    -4.60991614E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.66840513E+00     5.21640920E-03     9.49250424E-04    -1.23893276E-03
    -1.25626596E-03     2.14004377E-03    -1.01275173E-03     2.02486631E-04
    -1.43993963E-05     9.17397224E-03     3.44266368E-03    -9.72134971E-03
     1.31302321E-02    -1.00569675E-02     4.33599204E-03    -9.68110577E-04
     8.75658972E-05 JX  3.41285815E+00    -2.61836927E-02    -2.01241231E-04
     2.34646528E-02    -2.97276382E-02     1.47832399E-02    -2.47507439E-03
 Jf  3.02673728E+00    -1.10880481E-04     7.22218616E-05    -7.19731720E-04
    -1.62030122E-03     7.37110477E-04    -2.81203699E-04     5.78978055E-04
    -4.73204953E-04     1.27355078E-04    -8.05602396E-04     1.08121189E-03
    -6.28984213E-04    -7.42947414E-04     1.13333396E-04     2.51951892E-04
    -6.32690229E-05     1.93585770E-05     5.23411274E-05     2.19636912E-04
    -3.78187346E-04     5.62114171E-04    -1.86775190E-04     1.87333642E-05
     2.97660164E-04    -6.42411501E-05     1.71759584E-05    -6.94503602E-05
    -3.33177397E-03     3.08659866E-03     3.89786026E-03    -2.94436667E-03
     1.14079009E-03     3.76150023E-03     3.85444012E-03    -8.59465153E-04
    -8.11426869E-05     1.46204425E-03    -1.63482073E-03    -7.46803213E-04
     1.13222377E-03    -1.51135292E-03     4.22580044E-04    -3.21120705E-04
     1.32213612E-03    -1.61166830E-03     4.97134195E-04     3.25918581E-03
    -1.26041008E-03     5.39289911E-06     8.29328082E-04    -1.65752882E-04
     8.16048431E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.350241E+00 ->   1.308204E+00
           Unreweighted mean energy (a.u.)  :  -1.138324E+02 ->  -1.138383E+02


 Writing parameters to correlation.out.18.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 6
 NL2SOL iteration     : 3

 Current parameters:
 Be  9.68371990E-01    -4.98249005E-03     4.18423724E-01    -2.16684119E+00
     4.40805357E+00    -2.12404050E+00    -5.27812648E+00     7.97453569E+00
    -3.24099663E+00     1.73832716E+00     1.53219512E-03    -1.18239722E-02
     3.93161971E-02    -8.47047564E-02     1.32343825E-01    -1.40421600E-01
     8.90267637E-02    -2.87642557E-02     3.40014613E-03 Bm  2.38224268E+00
     7.81024646E-04    -3.95317888E-01     6.56703064E-01    -3.56202726E-01
     6.34193785E-02    -3.23518779E-03    -3.21184289E-01     5.23252063E-01
    -2.80073526E-01     4.94811816E-02 BP  5.58632568E+00     6.87565093E-05
    -2.62790617E-05    -1.21189290E-04     4.65377173E-05     9.64875182E-06
    -3.76235939E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.66715560E+00     5.21507667E-03     1.02937623E-03    -1.43097807E-03
    -1.07424281E-03     2.07013085E-03    -1.00152954E-03     2.01123293E-04
    -1.40629504E-05     9.20787589E-03     3.43141748E-03    -9.74927276E-03
     1.32015424E-02    -1.00908038E-02     4.32566473E-03    -9.57651679E-04
     8.57337132E-05 JX  3.40795843E+00    -2.61810708E-02    -7.50432001E-05
     2.30650642E-02    -2.95508048E-02     1.48626806E-02    -2.50946950E-03
 Jf  3.03267752E+00    -1.10680787E-04     3.60413804E-05    -6.92424888E-04
    -1.55597440E-03     7.27105280E-04    -2.85631826E-04     6.27490666E-04
    -4.58464197E-04     1.24356620E-04    -7.96516682E-04     1.08821345E-03
    -6.45652866E-04    -7.11698615E-04     1.04356722E-04     2.16394490E-04
    -4.80255623E-05     1.37594215E-05     5.90461571E-05     2.05616929E-04
    -3.75282128E-04     5.79420673E-04    -1.92029870E-04     2.07195764E-05
     2.98151602E-04    -6.68291173E-05     1.87713024E-05    -6.70723454E-05
    -3.26597739E-03     3.03410669E-03     3.72636684E-03    -2.84368583E-03
     1.09170507E-03     3.69568945E-03     3.85017942E-03    -8.49955111E-04
    -9.05592885E-05     1.46179303E-03    -1.61166533E-03    -7.42331771E-04
     1.13065099E-03    -1.54198917E-03     4.17506692E-04    -3.12766997E-04
     1.30825386E-03    -1.59050483E-03     4.80223793E-04     3.24173153E-03
    -1.25978429E-03     6.69754115E-06     8.48111501E-04    -1.69697214E-04
     8.17154721E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.308204E+00 ->   1.306318E+00
           Unreweighted mean energy (a.u.)  :  -1.138383E+02 ->  -1.138385E+02


 Writing parameters to correlation.out.18.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m7s]

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 3
 Function evaluations : 10
 Variance reduced to  : 0.13063179E+01

 Writing parameters to correlation.out.18.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 19
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m10s remaining]
  DTVMC #1:   1.4467E-01 (optimized)
  DTVMC #2:   1.1735E-01 (optimized)
 Done. [total CPU time: 5m8s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.5665
 Acceptance ratio #2 <level 1>        (%)  =  51.6212
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9211
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8702
 Diffusion constant #1           (Bohr^2)  = 1.1436E-02
 Diffusion constant #2           (Bohr^2)  = 9.4731E-03
 Correlation time                 (steps)  = 4.4624E+00 +- 6.8997E-01
 Efficiency                  (au^-2 s^-1)  = 1.9415E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.832350566479
  Standard error                        +/-           0.014425925971

  Kinetic energy KEI (used in Total) (au) =         112.322588355589
  Standard error                        +/-           1.227371316491

  Kinetic energy TI                  (au) =         112.629236803808
  Standard error                        +/-           0.656822549476

  Kinetic energy FISQ                (au) =         112.935885252027
  Standard error                        +/-           0.473842256618

  Potential energy                   (au) =        -268.046525403909
  Standard error                        +/-           1.227462458349

  e-e interaction                    (au) =          78.789654424362
  Standard error                        +/-           0.096370658173

  e-n interaction                    (au) =        -346.836179828270
  Standard error                        +/-           1.263188305828

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.156083218903
  Standard error                        +/-           0.040355380921

  Maximum distance from origin       (au) =           8.651505247987

  Particles affected per move       (%) :  99.8907


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.6504
 Acceptance ratio #2 <level 1>        (%)  =  52.1778
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9591
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.4380
 Diffusion constant #1           (Bohr^2)  = 1.1031E-02
 Diffusion constant #2           (Bohr^2)  = 8.9403E-03
 Correlation time                 (steps)  = 5.0926E+00 +- 8.3457E-01
 Efficiency                  (au^-2 s^-1)  = 1.4009E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.766171409156
  Standard error                        +/-           0.016077437423

  Kinetic energy KEI (used in Total) (au) =         107.793426355667
  Standard error                        +/-           1.295565643204

  Kinetic energy TI                  (au) =         110.487108796803
  Standard error                        +/-           0.709260480731

  Kinetic energy FISQ                (au) =         113.180791237939
  Standard error                        +/-           0.535524740095

  Potential energy                   (au) =        -263.451184246664
  Standard error                        +/-           1.297725148306

  e-e interaction                    (au) =          78.244760552267
  Standard error                        +/-           0.105950750237

  e-n interaction                    (au) =        -341.695944798930
  Standard error                        +/-           1.328022464758

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.403945848916
  Standard error                        +/-           0.071639620356

  Maximum distance from origin       (au) =           7.882790794343

  Particles affected per move       (%) :  99.9781


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.8660
 Acceptance ratio #2 <level 1>        (%)  =  51.6162
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1917
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8964
 Diffusion constant #1           (Bohr^2)  = 1.1298E-02
 Diffusion constant #2           (Bohr^2)  = 8.9718E-03
 Correlation time                 (steps)  = 3.9390E+00 +- 4.8920E-01
 Efficiency                  (au^-2 s^-1)  = 1.6717E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.903967755689
  Standard error                        +/-           0.015750103935

  Kinetic energy KEI (used in Total) (au) =         104.084387256201
  Standard error                        +/-           0.842397491094

  Kinetic energy TI                  (au) =         109.758555712776
  Standard error                        +/-           0.835282608226

  Kinetic energy FISQ                (au) =         115.432724169351
  Standard error                        +/-           1.399972908015

  Potential energy                   (au) =        -259.879941493731
  Standard error                        +/-           0.845437372603

  e-e interaction                    (au) =          77.978508807209
  Standard error                        +/-           0.095226171130

  e-n interaction                    (au) =        -337.858450300939
  Standard error                        +/-           0.870296862141

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.267547225698
  Standard error                        +/-           0.058357583373

  Maximum distance from origin       (au) =           7.841616990515

  Particles affected per move       (%) :  99.9908


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  52.1316
 Acceptance ratio #2 <level 1>        (%)  =  51.7285
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.4782
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9963
 Diffusion constant #1           (Bohr^2)  = 1.0914E-02
 Diffusion constant #2           (Bohr^2)  = 9.6839E-03
 Correlation time                 (steps)  = 3.8531E+00 +- 4.3684E-01
 Efficiency                  (au^-2 s^-1)  = 1.9763E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.861623074548
  Standard error                        +/-           0.016741667409

  Kinetic energy KEI (used in Total) (au) =         102.502691304191
  Standard error                        +/-           1.227436422825

  Kinetic energy TI                  (au) =         108.339345490999
  Standard error                        +/-           0.705943882536

  Kinetic energy FISQ                (au) =         114.175999677806
  Standard error                        +/-           0.714899842641

  Potential energy                   (au) =        -258.255900860579
  Standard error                        +/-           1.226561018589

  e-e interaction                    (au) =          77.251823955117
  Standard error                        +/-           0.089022418936

  e-n interaction                    (au) =        -335.507724815697
  Standard error                        +/-           1.262616682095

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.315317186004
  Standard error                        +/-           0.073330396226

  Maximum distance from origin       (au) =           8.515928558914

  Particles affected per move       (%) :  99.9646


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.3658
 Acceptance ratio #2 <level 1>        (%)  =  51.5650
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7524
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8552
 Diffusion constant #1           (Bohr^2)  = 1.1086E-02
 Diffusion constant #2           (Bohr^2)  = 9.2196E-03
 Correlation time                 (steps)  = 3.6872E+00 +- 5.1548E-01
 Efficiency                  (au^-2 s^-1)  = 1.8388E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.828448861649
  Standard error                        +/-           0.015893123469

  Kinetic energy KEI (used in Total) (au) =         108.327075225093
  Standard error                        +/-           0.832743596567

  Kinetic energy TI                  (au) =         111.181738929964
  Standard error                        +/-           0.573110799137

  Kinetic energy FISQ                (au) =         114.036402634835
  Standard error                        +/-           0.772265998761

  Potential energy                   (au) =        -264.047110568583
  Standard error                        +/-           0.832128619961

  e-e interaction                    (au) =          78.867432885945
  Standard error                        +/-           0.112292790174

  e-n interaction                    (au) =        -342.914543454528
  Standard error                        +/-           0.858879839401

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.477268288615
  Standard error                        +/-           0.144590058275

  Maximum distance from origin       (au) =           7.906644605151

  Particles affected per move       (%) :  99.9578


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.6514
 Acceptance ratio #2 <level 1>        (%)  =  51.4277
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9860
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.6556
 Diffusion constant #1           (Bohr^2)  = 1.1319E-02
 Diffusion constant #2           (Bohr^2)  = 9.0057E-03
 Correlation time                 (steps)  = 3.8518E+00 +- 5.7573E-01
 Efficiency                  (au^-2 s^-1)  = 1.4805E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.849507345257
  Standard error                        +/-           0.016804713067

  Kinetic energy KEI (used in Total) (au) =         114.011706946570
  Standard error                        +/-           1.037714092566

  Kinetic energy TI                  (au) =         113.763349240747
  Standard error                        +/-           0.576919025474

  Kinetic energy FISQ                (au) =         113.514991534925
  Standard error                        +/-           0.484638508399

  Potential energy                   (au) =        -269.752800773667
  Standard error                        +/-           1.037916430316

  e-e interaction                    (au) =          78.560841868741
  Standard error                        +/-           0.106494368020

  e-n interaction                    (au) =        -348.313642642408
  Standard error                        +/-           1.059788363709

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.463629314654
  Standard error                        +/-           0.300723772881

  Maximum distance from origin       (au) =           8.379924488078

  Particles affected per move       (%) :  99.8849


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.5675
 Acceptance ratio #2 <level 1>        (%)  =  51.5812
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9690
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8003
 Diffusion constant #1           (Bohr^2)  = 1.1105E-02
 Diffusion constant #2           (Bohr^2)  = 8.8437E-03
 Correlation time                 (steps)  = 4.0312E+00 +- 4.9538E-01
 Efficiency                  (au^-2 s^-1)  = 1.9036E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.840103841820
  Standard error                        +/-           0.017197165521

  Kinetic energy KEI (used in Total) (au) =         113.899416013910
  Standard error                        +/-           1.107757729047

  Kinetic energy TI                  (au) =         113.150995334051
  Standard error                        +/-           0.615350059103

  Kinetic energy FISQ                (au) =         112.402574654193
  Standard error                        +/-           0.463227976130

  Potential energy                   (au) =        -269.631106337570
  Standard error                        +/-           1.101891694347

  e-e interaction                    (au) =          77.930515103945
  Standard error                        +/-           0.102326747466

  e-n interaction                    (au) =        -347.561621441516
  Standard error                        +/-           1.160148268804

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.305183600981
  Standard error                        +/-           0.088464466902

  Maximum distance from origin       (au) =           7.627426013182

  Particles affected per move       (%) :  99.9721


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.7173
 Acceptance ratio #2 <level 1>        (%)  =  52.0904
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0929
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.3894
 Diffusion constant #1           (Bohr^2)  = 1.1325E-02
 Diffusion constant #2           (Bohr^2)  = 9.3353E-03
 Correlation time                 (steps)  = 3.9076E+00 +- 4.3726E-01
 Efficiency                  (au^-2 s^-1)  = 1.7395E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.851594872766
  Standard error                        +/-           0.015781217174

  Kinetic energy KEI (used in Total) (au) =         108.693908272450
  Standard error                        +/-           0.890512089604

  Kinetic energy TI                  (au) =         111.255588007055
  Standard error                        +/-           0.570653005086

  Kinetic energy FISQ                (au) =         113.817267741660
  Standard error                        +/-           0.681345994670

  Potential energy                   (au) =        -264.437089627057
  Standard error                        +/-           0.892122184790

  e-e interaction                    (au) =          78.224162339612
  Standard error                        +/-           0.099815997080

  e-n interaction                    (au) =        -342.661251966669
  Standard error                        +/-           0.927944575893

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.227943554589
  Standard error                        +/-           0.051757352516

  Maximum distance from origin       (au) =           7.413685944959

  Particles affected per move       (%) :  99.9538


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.5475
 Acceptance ratio #2 <level 1>        (%)  =  51.5288
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8263
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8190
 Diffusion constant #1           (Bohr^2)  = 1.0893E-02
 Diffusion constant #2           (Bohr^2)  = 8.5496E-03
 Correlation time                 (steps)  = 3.7598E+00 +- 5.8166E-01
 Efficiency                  (au^-2 s^-1)  = 1.3489E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.806584443665
  Standard error                        +/-           0.019719743605

  Kinetic energy KEI (used in Total) (au) =         116.172722940458
  Standard error                        +/-           1.029611330657

  Kinetic energy TI                  (au) =         116.539700170592
  Standard error                        +/-           1.202058873083

  Kinetic energy FISQ                (au) =         116.906677400726
  Standard error                        +/-           2.171223951437

  Potential energy                   (au) =        -271.870893865964
  Standard error                        +/-           1.030024446839

  e-e interaction                    (au) =          78.116711776236
  Standard error                        +/-           0.094000111454

  e-n interaction                    (au) =        -349.987605642200
  Standard error                        +/-           1.068715375798

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.974859995999
  Standard error                        +/-           0.560517543429

  Maximum distance from origin       (au) =           7.723660882270

  Particles affected per move       (%) :  99.9815


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  52.2105
 Acceptance ratio #2 <level 1>        (%)  =  51.8408
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.5431
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1248
 Diffusion constant #1           (Bohr^2)  = 1.1184E-02
 Diffusion constant #2           (Bohr^2)  = 9.3040E-03
 Correlation time                 (steps)  = 3.5075E+00 +- 3.8645E-01
 Efficiency                  (au^-2 s^-1)  = 1.4382E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.770172663024
  Standard error                        +/-           0.020285139950

  Kinetic energy KEI (used in Total) (au) =         121.216137644772
  Standard error                        +/-           1.625367347162

  Kinetic energy TI                  (au) =         118.486050803401
  Standard error                        +/-           1.450890531038

  Kinetic energy FISQ                (au) =         115.755963962030
  Standard error                        +/-           2.472018264579

  Potential energy                   (au) =        -276.877896789636
  Standard error                        +/-           1.623248866301

  e-e interaction                    (au) =          77.474172713018
  Standard error                        +/-           0.094699755770

  e-n interaction                    (au) =        -354.352069502655
  Standard error                        +/-           1.650907538796

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.985605676581
  Standard error                        +/-           0.394862595940

  Maximum distance from origin       (au) =           8.146950922967

  Particles affected per move       (%) :  99.9242


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.831052483405 +/- 0.005364398311      No correction
 -113.831052483405 +/- 0.010741168782      Correlation time method
 -113.831052483405 +/- 0.010113455644      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.831052483405 +/-       0.010113455644
    stderr:      0.010113455644 +/-       0.001033209731
    errfac:      1.872630569884 +/-       0.191311476133
    N_corr:      3.506745251264 +/-       0.716511437154
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.400668E-03   6.826997E-05
            2   6.346176E-03   1.134694E-04
            4   7.383099E-03   1.867494E-04
            8   8.300518E-03   2.971110E-04
           16   9.381093E-03   4.754875E-04
           32   8.960359E-03   6.439389E-04
           64   1.011346E-02   1.033210E-03  *** BEST ***
          128   1.071094E-02   1.563912E-03
          256   9.576277E-03   2.020963E-03
          512   1.191949E-02   3.727286E-03
         1024   1.242420E-02   6.125962E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.457738391094 +- 0.092670223892

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 19
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  9.68371990E-01    -4.98249005E-03     4.18423724E-01    -2.16684119E+00
     4.40805357E+00    -2.12404050E+00    -5.27812648E+00     7.97453569E+00
    -3.24099663E+00     1.73832716E+00     1.53219512E-03    -1.18239722E-02
     3.93161971E-02    -8.47047564E-02     1.32343825E-01    -1.40421600E-01
     8.90267637E-02    -2.87642557E-02     3.40014613E-03 Bm  2.38224268E+00
     7.81024646E-04    -3.95317888E-01     6.56703064E-01    -3.56202726E-01
     6.34193785E-02    -3.23518779E-03    -3.21184289E-01     5.23252063E-01
    -2.80073526E-01     4.94811816E-02 BP  5.58632568E+00     6.87565093E-05
    -2.62790617E-05    -1.21189290E-04     4.65377173E-05     9.64875182E-06
    -3.76235939E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.66715560E+00     5.21507667E-03     1.02937623E-03    -1.43097807E-03
    -1.07424281E-03     2.07013085E-03    -1.00152954E-03     2.01123293E-04
    -1.40629504E-05     9.20787589E-03     3.43141748E-03    -9.74927276E-03
     1.32015424E-02    -1.00908038E-02     4.32566473E-03    -9.57651679E-04
     8.57337132E-05 JX  3.40795843E+00    -2.61810708E-02    -7.50432001E-05
     2.30650642E-02    -2.95508048E-02     1.48626806E-02    -2.50946950E-03
 Jf  3.03267752E+00    -1.10680787E-04     3.60413804E-05    -6.92424888E-04
    -1.55597440E-03     7.27105280E-04    -2.85631826E-04     6.27490666E-04
    -4.58464197E-04     1.24356620E-04    -7.96516682E-04     1.08821345E-03
    -6.45652866E-04    -7.11698615E-04     1.04356722E-04     2.16394490E-04
    -4.80255623E-05     1.37594215E-05     5.90461571E-05     2.05616929E-04
    -3.75282128E-04     5.79420673E-04    -1.92029870E-04     2.07195764E-05
     2.98151602E-04    -6.68291173E-05     1.87713024E-05    -6.70723454E-05
    -3.26597739E-03     3.03410669E-03     3.72636684E-03    -2.84368583E-03
     1.09170507E-03     3.69568945E-03     3.85017942E-03    -8.49955111E-04
    -9.05592885E-05     1.46179303E-03    -1.61166533E-03    -7.42331771E-04
     1.13065099E-03    -1.54198917E-03     4.17506692E-04    -3.12766997E-04
     1.30825386E-03    -1.59050483E-03     4.80223793E-04     3.24173153E-03
    -1.25978429E-03     6.69754115E-06     8.48111501E-04    -1.69697214E-04
     8.17154721E-05

    Unreweighted variance of energy (a.u.)  :   1.395842E+00
           Unreweighted mean energy (a.u.)  :  -1.138159E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  9.78512680E-01    -1.93865327E-03     1.76200638E-01    -1.02506205E+00
     2.22448219E+00    -1.15652391E+00    -2.62336699E+00     4.10163026E+00
    -1.71079731E+00     1.69093761E+00     3.06756592E-03    -2.20101388E-02
     6.55908335E-02    -1.19841959E-01     1.59776860E-01    -1.55192829E-01
     9.82500460E-02    -3.48721547E-02     5.23227091E-03 Bm  2.35887051E+00
    -9.50089057E-02    -1.19162444E-01     2.92203280E-01    -1.47557928E-01
     2.17196799E-02    -7.01722681E-02    -2.16498694E-01     4.40066394E-01
    -2.37155497E-01     4.00573137E-02 BP  6.19843169E+00     8.12516352E-05
    -3.00682267E-05    -9.88096031E-05     3.67378788E-05     5.86737605E-07
    -2.40057405E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.65529848E+00     5.61722015E-03     1.70649146E-03    -3.64960138E-03
     1.19563297E-03     1.02629427E-03    -9.28623570E-04     2.79076160E-04
    -3.03083882E-05     9.47992785E-03     3.98951104E-03    -1.04840521E-02
     1.32124769E-02    -9.68838036E-03     4.09015809E-03    -9.07046957E-04
     8.21475285E-05 JX  3.40447647E+00    -2.73895506E-02    -6.10595678E-04
     3.09932684E-02    -3.91911432E-02     1.88439599E-02    -3.04159764E-03
 Jf  3.09443523E+00    -1.38105547E-04    -3.01942514E-05     3.65680332E-04
    -1.98772748E-03     4.82347927E-04    -2.53759679E-04     7.83881057E-04
     2.00837335E-03     1.80542640E-05    -4.21663879E-04     2.73715392E-04
    -1.11346674E-03     9.08008779E-04     4.21790048E-04    -2.01663880E-03
     1.39400523E-04    -2.10386941E-06     3.66976783E-05     1.62648201E-04
    -9.01313105E-05     5.03186004E-04    -5.65670045E-04     2.08521519E-05
     8.09397424E-04    -1.33040034E-04     2.70611928E-05    -5.88384206E-05
    -2.67050263E-03     2.45225735E-03     2.70652194E-03    -2.25649724E-03
     9.11313197E-04     3.00761603E-03     3.02978030E-03    -6.78630308E-04
    -8.70516422E-05     1.38640617E-03    -1.81215298E-03    -5.25457986E-04
     7.61168554E-04    -1.48483398E-03     4.59827012E-04    -2.96038786E-04
     9.34920822E-04    -1.08837313E-03     1.81561471E-04     2.51725235E-03
    -9.16945520E-04     2.11310093E-05     7.29503715E-04    -1.82907268E-04
     8.69434663E-05

 Rejected step:
 Variance  :   1.395842E+00 ->   1.545593E+00
 Energy    :  -1.138159E+02 ->  -1.138049E+02

 Current parameters:
 Be  9.79772825E-01    -3.60192193E-03     3.54294693E-01    -1.97598591E+00
     4.13650320E+00    -2.02859238E+00    -4.83901476E+00     7.28302346E+00
    -2.94294332E+00     1.69008624E+00     2.61045101E-03    -1.71608963E-02
     4.81794089E-02    -9.35526138E-02     1.46829194E-01    -1.61510085E-01
     1.05351710E-01    -3.53888310E-02     4.64168374E-03 Bm  2.37190191E+00
    -4.74530871E-02    -2.65738403E-01     4.71485453E-01    -2.40327090E-01
     3.86846024E-02    -3.67127969E-02    -3.00926563E-01     5.26254138E-01
    -2.76550971E-01     4.67360023E-02 BP  6.07038913E+00     5.65158023E-05
    -2.15706524E-05    -8.47925724E-05     3.20708573E-05     5.35404380E-06
    -1.91275207E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.64392710E+00     5.64468451E-03     1.10799234E-03    -2.23203432E-03
    -1.89071197E-04     1.69904870E-03    -1.07453975E-03     2.83238854E-04
    -2.83294904E-05     9.56430186E-03     3.71055367E-03    -1.00837151E-02
     1.31139059E-02    -9.89696933E-03     4.27991369E-03    -9.67352549E-04
     8.88399336E-05 JX  3.41532183E+00    -2.68209731E-02    -9.91727375E-04
     2.96490521E-02    -3.58596618E-02     1.69108165E-02    -2.71161098E-03
 Jf  3.04456108E+00    -1.46769868E-04     1.15407875E-04    -4.55207652E-04
    -1.72342161E-03     8.66928709E-04    -4.29170012E-04     7.30799423E-04
    -3.33967621E-05     6.03358548E-05    -6.76710288E-04     6.97686775E-04
    -5.97371754E-04    -1.96489699E-04     1.39221994E-04    -6.89931171E-05
    -1.07398343E-04     7.41296218E-05     8.38542662E-05     1.58645705E-04
    -2.09381899E-04     4.57527657E-04    -2.58767445E-04     2.02336183E-05
     3.27055945E-04    -5.18229197E-05     6.41565787E-06    -6.37468555E-05
    -3.08098538E-03     2.91790022E-03     3.19381361E-03    -2.67642487E-03
     1.06816225E-03     3.47598980E-03     3.71295462E-03    -7.93113267E-04
    -1.11857023E-04     1.60832851E-03    -1.91389549E-03    -7.97131363E-04
     1.04696983E-03    -1.55237256E-03     4.36079141E-04    -3.12934599E-04
     1.15931887E-03    -1.40595857E-03     3.09325197E-04     3.19910084E-03
    -1.21039800E-03     1.87793275E-05     8.97074618E-04    -1.97124130E-04
     9.16447842E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.395842E+00 ->   1.350428E+00
           Unreweighted mean energy (a.u.)  :  -1.138159E+02 ->  -1.138170E+02


 Writing parameters to correlation.out.19.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m6s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be  9.89779558E-01    -3.35799262E-03     3.27882322E-01    -1.82748087E+00
     3.79743484E+00    -1.81934875E+00    -4.36021972E+00     6.39907343E+00
    -2.52410341E+00     1.69470040E+00     2.80107863E-03    -1.88794075E-02
     5.37954834E-02    -1.00172105E-01     1.45844321E-01    -1.55038442E-01
     1.03754809E-01    -3.77559013E-02     5.66925761E-03 Bm  2.50978937E+00
    -7.89841129E-02    -1.82142389E-01     4.07916118E-01    -2.28399469E-01
     3.97768586E-02    -5.52950422E-02    -2.55980463E-01     4.96289565E-01
    -2.72935763E-01     4.78572319E-02 BP  6.03490929E+00     6.65165931E-05
    -2.55997909E-05    -9.07298412E-05     3.43868610E-05     2.76958379E-06
    -8.67144283E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.59843146E+00     5.91703776E-03     1.38966261E-03    -2.87647173E-03
     2.96886838E-04     1.61938515E-03    -1.16609015E-03     3.32571850E-04
    -3.55038373E-05     9.92500953E-03     3.98298978E-03    -1.05112091E-02
     1.33193507E-02    -9.88224199E-03     4.23714968E-03    -9.56000449E-04
     8.83002893E-05 JX  3.40794034E+00    -2.73198342E-02    -1.01956053E-03
     3.09458516E-02    -3.85050274E-02     1.84628919E-02    -2.98470906E-03
 Jf  3.08958240E+00    -1.26555543E-04     9.23734763E-05    -1.43442458E-04
    -1.79183629E-03     6.71918673E-04    -3.11697782E-04     6.08198932E-04
     6.97186267E-04     2.74818670E-05    -5.15752339E-04     4.31691314E-04
    -6.83136435E-04     1.64095181E-04     2.46814608E-04    -5.87784462E-04
    -8.14713815E-05     6.65016087E-05     6.25989168E-05     1.59390235E-04
    -1.48804570E-04     3.95610018E-04    -3.24690928E-04     1.27897428E-05
     4.17813287E-04    -5.17098483E-05     2.42826601E-06    -6.12004346E-05
    -2.78895438E-03     2.67433527E-03     2.82085269E-03    -2.42775230E-03
     9.72626204E-04     3.13428709E-03     3.49793642E-03    -7.10231321E-04
    -8.77497186E-05     1.44518647E-03    -1.80809833E-03    -6.08998311E-04
     9.53529351E-04    -1.60802496E-03     4.32430293E-04    -2.97138375E-04
     1.02205934E-03    -1.23729308E-03     2.59195637E-04     2.86688448E-03
    -1.11419474E-03     2.05388242E-05     8.66630184E-04    -1.91796937E-04
     8.70832169E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.350428E+00 ->   1.348818E+00
           Unreweighted mean energy (a.u.)  :  -1.138170E+02 ->  -1.138187E+02


 Writing parameters to correlation.out.19.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m8s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 5
 NL2SOL iteration     : 3

 Current parameters:
 Be  1.00075371E+00    -3.34568345E-03     3.14487168E-01    -1.72454049E+00
     3.52657283E+00    -1.64605387E+00    -3.96288779E+00     5.69257978E+00
    -2.20290745E+00     1.71246771E+00     2.90635641E-03    -1.97323167E-02
     5.58243077E-02    -1.00471704E-01     1.40025787E-01    -1.45554910E-01
     9.75431019E-02    -3.60949244E-02     5.56753411E-03 Bm  2.46509549E+00
    -7.18350416E-02    -2.00546054E-01     4.05719837E-01    -2.13171828E-01
     3.49711636E-02    -5.84238957E-02    -2.55151857E-01     4.88764715E-01
    -2.62592919E-01     4.45502791E-02 BP  6.14654716E+00     6.72524889E-05
    -2.58532747E-05    -8.57477751E-05     3.24671459E-05     1.07861461E-06
    -2.31764686E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.55909236E+00     6.13258780E-03     1.68740633E-03    -3.49219516E-03
     6.97418789E-04     1.60414893E-03    -1.27422698E-03     3.82793353E-04
    -4.25377922E-05     1.03505933E-02     4.09648539E-03    -1.07198729E-02
     1.34828950E-02    -1.00238245E-02     4.33854745E-03    -9.93083594E-04
     9.34614421E-05 JX  3.40646925E+00    -2.72882858E-02    -1.34750533E-03
     3.23452920E-02    -3.99968381E-02     1.91026758E-02    -3.07900402E-03
 Jf  3.09213136E+00    -1.33927461E-04     6.00743579E-05    -5.09071395E-05
    -1.79875105E-03     6.28981182E-04    -3.09111181E-04     6.38881289E-04
     8.82228025E-04     2.43717675E-05    -4.94994933E-04     4.07940433E-04
    -7.67124352E-04     2.45032367E-04     2.63331897E-04    -7.66203781E-04
    -3.59017320E-05     4.91072000E-05     5.51103085E-05     1.59429945E-04
    -1.41213726E-04     4.32137054E-04    -3.47959574E-04     1.32400847E-05
     4.44254437E-04    -6.06934000E-05     6.67441683E-06    -5.16294527E-05
    -2.74623064E-03     2.61494005E-03     2.72576263E-03    -2.32957100E-03
     9.21732883E-04     3.09375409E-03     3.42682243E-03    -7.11270522E-04
    -9.31560491E-05     1.39866753E-03    -1.77105555E-03    -5.55106468E-04
     9.07939294E-04    -1.64908350E-03     4.43509907E-04    -2.90985520E-04
     1.01411566E-03    -1.20561440E-03     2.51615644E-04     2.75125468E-03
    -1.05371601E-03     1.77847654E-05     8.31443486E-04    -1.87980067E-04
     8.56300097E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.348818E+00 ->   1.334500E+00
           Unreweighted mean energy (a.u.)  :  -1.138187E+02 ->  -1.138203E+02


 Writing parameters to correlation.out.19.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m7s]

 Optimization monitor :
 ----------------------
 Function evaluations : 6
 NL2SOL iteration     : 4

 Current parameters:
 Be  1.00342658E+00    -3.29846683E-03     3.05413206E-01    -1.65913308E+00
     3.34903866E+00    -1.50877688E+00    -3.74453923E+00     5.24873018E+00
    -1.98951657E+00     1.67963073E+00     3.00682473E-03    -2.09353071E-02
     6.08185603E-02    -1.10509516E-01     1.52303566E-01    -1.58193258E-01
     1.09258509E-01    -4.29168437E-02     7.18914924E-03 Bm  2.51642396E+00
    -8.57594506E-02    -1.56296944E-01     3.65406105E-01    -2.01497133E-01
     3.44313232E-02    -7.71973931E-02    -1.98966255E-01     4.34155059E-01
    -2.43011669E-01     4.25626696E-02 BP  6.13693575E+00     7.31272890E-05
    -2.81553855E-05    -8.95414769E-05     3.39096713E-05    -6.60939816E-07
     4.65178799E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.53055487E+00     6.29457733E-03     1.90086167E-03    -3.83072568E-03
     8.02839685E-04     1.76211759E-03    -1.43438898E-03     4.38593838E-04
    -4.93037513E-05     1.05907319E-02     4.22832810E-03    -1.09355115E-02
     1.38121837E-02    -1.04038870E-02     4.58107815E-03    -1.07027911E-03
     1.03164899E-04 JX  3.39657916E+00    -2.75478744E-02    -1.15532923E-03
     3.23710522E-02    -4.06103760E-02     1.95677016E-02    -3.16752498E-03
 Jf  3.11347662E+00    -1.25244191E-04    -1.94325545E-06     8.07069966E-05
    -1.66695749E-03     4.94166661E-04    -2.36623131E-04     6.64307359E-04
     1.11016877E-03     1.66148064E-05    -4.42490060E-04     3.66596390E-04
    -8.27370515E-04     3.54694590E-04     2.93268585E-04    -9.76134081E-04
     6.57478884E-06     2.73626613E-05     5.41284164E-05     1.40421293E-04
    -1.22299587E-04     4.48973925E-04    -3.79697938E-04     1.32882644E-05
     4.91515352E-04    -7.15124239E-05     1.14551609E-05    -5.14118977E-05
    -2.61169119E-03     2.49188598E-03     2.57279506E-03    -2.21054852E-03
     8.75254485E-04     2.93060513E-03     3.27939858E-03    -6.80124894E-04
    -7.72974575E-05     1.31042621E-03    -1.66673282E-03    -4.92432233E-04
     8.57191516E-04    -1.60392471E-03     4.25221624E-04    -2.75876861E-04
     9.64388048E-04    -1.14832499E-03     2.46395583E-04     2.57830810E-03
    -9.89104697E-04     1.56342554E-05     7.81779501E-04    -1.75847911E-04
     7.99352440E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.334500E+00 ->   1.334262E+00
           Unreweighted mean energy (a.u.)  :  -1.138203E+02 ->  -1.138188E+02


 Writing parameters to correlation.out.19.

 Current parameters:
 Be  1.00487307E+00    -1.22465596E-02     4.98334397E-01    -1.69349973E+00
     3.28382777E+00    -1.85927288E+00    -4.00899392E+00     5.61642503E+00
    -1.75914607E+00     6.44140976E+00    -7.03131385E-03     1.96258198E-03
     3.36205934E-03    -2.21310126E-03     6.74914927E-04    -1.85523722E-04
     3.70973851E-05    -3.14530332E-06     3.24177309E-08 Bm  1.49285805E+00
     5.23356654E-02    -9.86062661E-01     2.52810032E+00    -2.86345788E+00
     1.17328566E+00     4.83495569E-01    -1.79907822E+00     3.58640850E+00
    -3.02518643E+00     8.87984943E-01 BP  1.83871773E+00     4.79229504E-03
    -3.82546926E-03    -3.98556615E-03     1.94469413E-03     8.06653170E-03
    -1.95510053E-02 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  4.97566865E+00    -9.70679911E-03     1.14216679E-02    -4.92289511E-03
     5.77432208E-04     2.06608678E-03    -1.30975544E-03     2.61343835E-04
    -6.60676636E-06    -9.73804152E-03     2.31216335E-03    -3.96702840E-03
     1.28037637E-02    -1.09447478E-02     4.35428768E-03    -8.35493037E-04
     6.00209715E-05 JX  3.18668109E+00    -4.00137004E-02     2.07047578E-02
     1.31643155E-02    -3.32916261E-02     2.20900725E-02    -4.73762309E-03
 Jf  3.47546955E+00    -1.02505472E-05    -5.10619912E-04     9.59554093E-05
    -2.80263491E-03     5.49385732E-04     3.22376144E-05    -8.81205793E-04
     1.83400455E-03     6.62486188E-04     3.36295901E-04     1.12453073E-03
    -6.48550249E-04    -6.49848788E-05     2.67261462E-04    -1.03750330E-03
    -1.93342784E-05    -2.96079044E-06    -5.36124761E-04     2.34627402E-04
    -7.16014796E-04     4.76739310E-04    -3.00141058E-04     3.47641761E-05
     4.79163483E-04    -3.26691068E-05    -1.67822976E-05    -5.79778169E-04
    -2.77998337E-03     2.28125723E-03     2.52765363E-03    -1.86023493E-03
     5.15727166E-04     2.59392735E-03     3.14525407E-03     1.92034884E-05
     8.11224387E-04     1.55245175E-03    -1.58327445E-03    -5.56253247E-04
     9.38068837E-04    -1.65140316E-03     5.46530629E-04    -3.67113120E-04
     2.47909041E-04    -1.17573012E-03     2.05032831E-04     2.65859846E-03
    -1.08140351E-03     8.17209138E-06     7.85693499E-04    -1.54196993E-04
     6.67066127E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.334262E+00 ->   1.089560E+03
           Unreweighted mean energy (a.u.)  :  -1.138188E+02 ->  -1.829563E+02


 Writing parameters to correlation.out.19.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m6s remaining]
 Done. [total CPU time: 4m8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 8
 NL2SOL iteration     : 5

 Current parameters:
 Be  1.00342658E+00    -3.29850331E-03     3.05418070E-01    -1.65914906E+00
     3.34910335E+00    -1.50884747E+00    -3.74440324E+00     5.24887419E+00
    -1.98928520E+00     1.67975349E+00     3.00673627E-03    -2.09365667E-02
     6.08130846E-02    -1.10489405E-01     1.52256129E-01    -1.58128778E-01
     1.09210234E-01    -4.28921618E-02     7.18506694E-03 Bm  2.51640131E+00
    -8.57598456E-02    -1.56301843E-01     3.65427115E-01    -2.01524100E-01
     3.44322217E-02    -7.72055574E-02    -1.98966438E-01     4.34170650E-01
    -2.43026806E-01     4.25674243E-02 BP  6.13629158E+00     7.31468020E-05
    -2.81659933E-05    -8.95722418E-05     3.39291086E-05    -6.61347944E-07
     4.65505251E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.53055487E+00     6.26118264E-03     1.89928007E-03    -3.85588371E-03
     8.06242486E-04     1.76587092E-03    -1.43383764E-03     4.37418569E-04
    -4.92599679E-05     1.06144775E-02     4.22172790E-03    -1.09368831E-02
     1.38111588E-02    -1.03808710E-02     4.56631668E-03    -1.06812221E-03
     1.03363325E-04 JX  3.39142437E+00    -2.75318875E-02    -1.17154423E-03
     3.22212981E-02    -4.04876746E-02     1.96030046E-02    -3.18903039E-03
 Jf  3.11345118E+00    -1.22719700E-04    -1.97106191E-06     8.10660693E-05
    -1.65987138E-03     4.97070335E-04    -2.35906967E-04     6.63590114E-04
     1.10791859E-03     1.70543846E-05    -4.43310466E-04     3.65591468E-04
    -8.25896694E-04     3.54660700E-04     2.93631833E-04    -9.74300077E-04
     6.41886322E-06     2.72093935E-05     5.39253881E-05     1.40865825E-04
    -1.22299205E-04     4.51594476E-04    -3.80776530E-04     1.32428346E-05
     4.91198887E-04    -7.14620273E-05     1.14708998E-05    -5.07686914E-05
    -2.61923962E-03     2.49608297E-03     2.58154754E-03    -2.20539299E-03
     8.68310826E-04     2.94044175E-03     3.27672325E-03    -6.81284848E-04
    -7.71305735E-05     1.31069739E-03    -1.67131076E-03    -4.92233588E-04
     8.54866750E-04    -1.60554253E-03     4.25961395E-04    -2.75726443E-04
     9.65849235E-04    -1.14894402E-03     2.45709267E-04     2.57997096E-03
    -9.87411943E-04     1.56223570E-05     7.80747119E-04    -1.75785497E-04
     7.99337516E-05

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 5
 Function evaluations : 13
 Variance reduced to  : 0.13342624E+01

 Writing parameters to correlation.out.19.


 *     *     *     *     *     *     *     *     *     *     *     *

 ==========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 20
 ==========================================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m7s remaining]
  DTVMC #1:   1.4533E-01 (optimized)
  DTVMC #2:   1.1757E-01 (optimized)
 Done. [total CPU time: 5m7s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: good.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.5046
 Acceptance ratio #2 <level 1>        (%)  =  52.0018
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7724
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2621
 Diffusion constant #1           (Bohr^2)  = 1.0876E-02
 Diffusion constant #2           (Bohr^2)  = 9.2129E-03
 Correlation time                 (steps)  = 5.0514E+00 +- 9.7018E-01
 Efficiency                  (au^-2 s^-1)  = 1.3646E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.819771366750
  Standard error                        +/-           0.014591426309

  Kinetic energy KEI (used in Total) (au) =         103.596610222894
  Standard error                        +/-           0.873944081838

  Kinetic energy TI                  (au) =         108.366594309260
  Standard error                        +/-           0.491639571100

  Kinetic energy FISQ                (au) =         113.136578395627
  Standard error                        +/-           0.490185400404

  Potential energy                   (au) =        -259.307968071484
  Standard error                        +/-           0.873191717928

  e-e interaction                    (au) =          77.614798117535
  Standard error                        +/-           0.093912383218

  e-n interaction                    (au) =        -336.922766189020
  Standard error                        +/-           0.893210888117

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.210867674395
  Standard error                        +/-           0.056919222536

  Maximum distance from origin       (au) =           7.856482867698

  Particles affected per move       (%) :  99.9898


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.5585
 Acceptance ratio #2 <level 1>        (%)  =  51.5001
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8752
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7691
 Diffusion constant #1           (Bohr^2)  = 1.0996E-02
 Diffusion constant #2           (Bohr^2)  = 8.6831E-03
 Correlation time                 (steps)  = 3.9817E+00 +- 5.9926E-01
 Efficiency                  (au^-2 s^-1)  = 1.7333E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.807323500463
  Standard error                        +/-           0.017874642465

  Kinetic energy KEI (used in Total) (au) =         118.255184213438
  Standard error                        +/-           1.319332921995

  Kinetic energy TI                  (au) =         116.162726419995
  Standard error                        +/-           1.007844503975

  Kinetic energy FISQ                (au) =         114.070268626552
  Standard error                        +/-           1.364351046108

  Potential energy                   (au) =        -273.954094195741
  Standard error                        +/-           1.317102544724

  e-e interaction                    (au) =          78.322754808821
  Standard error                        +/-           0.109418341833

  e-n interaction                    (au) =        -352.276849004562
  Standard error                        +/-           1.348983920411

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.451313881693
  Standard error                        +/-           0.098074921135

  Maximum distance from origin       (au) =           7.600491948796

  Particles affected per move       (%) :  99.9987


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.8840
 Acceptance ratio #2 <level 1>        (%)  =  51.7222
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1957
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0200
 Diffusion constant #1           (Bohr^2)  = 1.0872E-02
 Diffusion constant #2           (Bohr^2)  = 8.9240E-03
 Correlation time                 (steps)  = 3.9752E+00 +- 5.5152E-01
 Efficiency                  (au^-2 s^-1)  = 1.4311E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.817708546312
  Standard error                        +/-           0.017511000989

  Kinetic energy KEI (used in Total) (au) =         112.319979214750
  Standard error                        +/-           1.072356814244

  Kinetic energy TI                  (au) =         112.468069003235
  Standard error                        +/-           0.589662165595

  Kinetic energy FISQ                (au) =         112.616158791720
  Standard error                        +/-           0.426492445315

  Potential energy                   (au) =        -268.029274242902
  Standard error                        +/-           1.073195076295

  e-e interaction                    (au) =          78.090198153691
  Standard error                        +/-           0.092518879347

  e-n interaction                    (au) =        -346.119472396592
  Standard error                        +/-           1.091233266767

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.467197318164
  Standard error                        +/-           0.122909016366

  Maximum distance from origin       (au) =           7.399209819794

  Particles affected per move       (%) :  99.9999


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.3768
 Acceptance ratio #2 <level 1>        (%)  =  51.7709
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7085
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0674
 Diffusion constant #1           (Bohr^2)  = 1.1268E-02
 Diffusion constant #2           (Bohr^2)  = 9.0096E-03
 Correlation time                 (steps)  = 3.2943E+00 +- 3.3848E-01
 Efficiency                  (au^-2 s^-1)  = 1.8529E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.825913950388
  Standard error                        +/-           0.017445597090

  Kinetic energy KEI (used in Total) (au) =         122.026200541241
  Standard error                        +/-           0.809836874042

  Kinetic energy TI                  (au) =         117.940580450283
  Standard error                        +/-           0.737676219765

  Kinetic energy FISQ                (au) =         113.854960359325
  Standard error                        +/-           1.224093157840

  Potential energy                   (au) =        -277.743700973469
  Standard error                        +/-           0.811518560507

  e-e interaction                    (au) =          78.957423666183
  Standard error                        +/-           0.098580735895

  e-n interaction                    (au) =        -356.701124639652
  Standard error                        +/-           0.840375170747

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.640899873218
  Standard error                        +/-           0.186788048530

  Maximum distance from origin       (au) =           9.012461455849

  Particles affected per move       (%) :  99.9741


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.6404
 Acceptance ratio #2 <level 1>        (%)  =  51.4814
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9111
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.6830
 Diffusion constant #1           (Bohr^2)  = 1.0824E-02
 Diffusion constant #2           (Bohr^2)  = 9.0965E-03
 Correlation time                 (steps)  = 4.5530E+00 +- 5.8096E-01
 Efficiency                  (au^-2 s^-1)  = 1.4768E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.822343537857
  Standard error                        +/-           0.015791637344

  Kinetic energy KEI (used in Total) (au) =         114.981352608329
  Standard error                        +/-           1.528517197530

  Kinetic energy TI                  (au) =         113.523001336078
  Standard error                        +/-           0.770385276251

  Kinetic energy FISQ                (au) =         112.064650063827
  Standard error                        +/-           0.394098252591

  Potential energy                   (au) =        -270.695282628027
  Standard error                        +/-           1.529198008626

  e-e interaction                    (au) =          78.600142754146
  Standard error                        +/-           0.101831892567

  e-n interaction                    (au) =        -349.295425382173
  Standard error                        +/-           1.549711695446

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.241366781018
  Standard error                        +/-           0.048214694985

  Maximum distance from origin       (au) =           7.415834763358

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.6793
 Acceptance ratio #2 <level 1>        (%)  =  51.6711
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9661
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0137
 Diffusion constant #1           (Bohr^2)  = 1.1009E-02
 Diffusion constant #2           (Bohr^2)  = 9.3012E-03
 Correlation time                 (steps)  = 3.3819E+00 +- 3.6831E-01
 Efficiency                  (au^-2 s^-1)  = 1.5446E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.900149075500
  Standard error                        +/-           0.019251410520

  Kinetic energy KEI (used in Total) (au) =         115.193552219504
  Standard error                        +/-           1.244638245535

  Kinetic energy TI                  (au) =         114.136500556025
  Standard error                        +/-           0.672458530322

  Kinetic energy FISQ                (au) =         113.079448892547
  Standard error                        +/-           0.582256140993

  Potential energy                   (au) =        -270.985287776844
  Standard error                        +/-           1.244283832655

  e-e interaction                    (au) =          78.253818652136
  Standard error                        +/-           0.118300283555

  e-n interaction                    (au) =        -349.239106428980
  Standard error                        +/-           1.283773185880

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.917463996580
  Standard error                        +/-           0.607442512403

  Maximum distance from origin       (au) =           7.341217891672

  Particles affected per move       (%) :  99.9940


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.7672
 Acceptance ratio #2 <level 1>        (%)  =  51.2842
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0889
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.4084
 Diffusion constant #1           (Bohr^2)  = 1.1325E-02
 Diffusion constant #2           (Bohr^2)  = 9.0265E-03
 Correlation time                 (steps)  = 3.6464E+00 +- 3.8624E-01
 Efficiency                  (au^-2 s^-1)  = 1.9896E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.805664840139
  Standard error                        +/-           0.015483142324

  Kinetic energy KEI (used in Total) (au) =         112.115998752426
  Standard error                        +/-           0.766476261318

  Kinetic energy TI                  (au) =         112.528067915715
  Standard error                        +/-           0.492377800613

  Kinetic energy FISQ                (au) =         112.940137079004
  Standard error                        +/-           0.631928444440

  Potential energy                   (au) =        -267.813250074405
  Standard error                        +/-           0.765091656193

  e-e interaction                    (au) =          78.177628056478
  Standard error                        +/-           0.094897404824

  e-n interaction                    (au) =        -345.990878130883
  Standard error                        +/-           0.787458956728

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.380587828271
  Standard error                        +/-           0.132001353522

  Maximum distance from origin       (au) =           7.315952517603

  Particles affected per move       (%) :  99.9931


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.4766
 Acceptance ratio #2 <level 1>        (%)  =  52.2052
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8253
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.4555
 Diffusion constant #1           (Bohr^2)  = 1.1342E-02
 Diffusion constant #2           (Bohr^2)  = 8.9297E-03
 Correlation time                 (steps)  = 3.9210E+00 +- 5.8716E-01
 Efficiency                  (au^-2 s^-1)  = 9.8891E+01
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.842785283929
  Standard error                        +/-           0.020073971335

  Kinetic energy KEI (used in Total) (au) =         108.993896986065
  Standard error                        +/-           1.089280334919

  Kinetic energy TI                  (au) =         111.677970267755
  Standard error                        +/-           0.765515133102

  Kinetic energy FISQ                (au) =         114.362043549445
  Standard error                        +/-           1.070087747211

  Potential energy                   (au) =        -264.728268751835
  Standard error                        +/-           1.083433185060

  e-e interaction                    (au) =          78.252472539573
  Standard error                        +/-           0.117620487723

  e-n interaction                    (au) =        -342.980741291408
  Standard error                        +/-           1.135405816625

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           2.152592811391
  Standard error                        +/-           0.370126949476

  Maximum distance from origin       (au) =           7.362145286666

  Particles affected per move       (%) :  99.9668


 Time taken in block    : : :        6.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.4836
 Acceptance ratio #2 <level 1>        (%)  =  51.6848
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.7554
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9101
 Diffusion constant #1           (Bohr^2)  = 1.0920E-02
 Diffusion constant #2           (Bohr^2)  = 9.0823E-03
 Correlation time                 (steps)  = 3.8232E+00 +- 4.5087E-01
 Efficiency                  (au^-2 s^-1)  = 1.8979E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.865807256222
  Standard error                        +/-           0.015723727610

  Kinetic energy KEI (used in Total) (au) =         110.188132054295
  Standard error                        +/-           0.972357493144

  Kinetic energy TI                  (au) =         111.850014468680
  Standard error                        +/-           0.549958947850

  Kinetic energy FISQ                (au) =         113.511896883065
  Standard error                        +/-           0.531714724132

  Potential energy                   (au) =        -265.945525792357
  Standard error                        +/-           0.972828363910

  e-e interaction                    (au) =          77.935658703851
  Standard error                        +/-           0.098383700999

  e-n interaction                    (au) =        -343.881184496208
  Standard error                        +/-           1.017698589203

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.380374819701
  Standard error                        +/-           0.179885026481

  Maximum distance from origin       (au) =           7.263939505747

  Particles affected per move       (%) :  99.9995


 Time taken in block    : : :        5.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.3139
 Acceptance ratio #2 <level 1>        (%)  =  51.7609
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.6126
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0736
 Diffusion constant #1           (Bohr^2)  = 1.1246E-02
 Diffusion constant #2           (Bohr^2)  = 9.2910E-03
 Correlation time                 (steps)  = 4.1244E+00 +- 5.4479E-01
 Efficiency                  (au^-2 s^-1)  = 1.6091E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.836071137109
  Standard error                        +/-           0.016754379425

  Kinetic energy KEI (used in Total) (au) =         107.900446888992
  Standard error                        +/-           1.018219257298

  Kinetic energy TI                  (au) =         110.729849238993
  Standard error                        +/-           0.618534994439

  Kinetic energy FISQ                (au) =         113.559251588994
  Standard error                        +/-           0.699517319022

  Potential energy                   (au) =        -263.628104507942
  Standard error                        +/-           1.018606076055

  e-e interaction                    (au) =          78.224596202797
  Standard error                        +/-           0.102904319380

  e-n interaction                    (au) =        -341.852700710739
  Standard error                        +/-           1.061530185511

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.509185606162
  Standard error                        +/-           0.145837510789

  Maximum distance from origin       (au) =           7.997406699694

  Particles affected per move       (%) :  99.9901


 Time taken in block    : : :        5.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.834353849467 +/- 0.005417588581      No correction
 -113.834353849467 +/- 0.010801583803      Correlation time method
 -113.834353849467 +/- 0.009489753521      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.834353849467 +/-       0.009489753521
    stderr:      0.009489753521 +/-       0.000969491144
    errfac:      1.747193517862 +/-       0.178496589967
    N_corr:      3.052685188857 +/-       0.623736169903
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.431427E-03   6.865879E-05
            2   6.492018E-03   1.160770E-04
            4   7.667440E-03   1.939416E-04
            8   8.602025E-03   3.079032E-04
           16   9.330680E-03   4.729323E-04
           32   9.761575E-03   7.015186E-04
           64   9.489754E-03   9.694911E-04  *** BEST ***
          128   1.055727E-02   1.541474E-03
          256   1.118831E-02   2.361163E-03
          512   7.365722E-03   2.303300E-03
         1024   9.059533E-03   4.466955E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.535185059059 +- 0.093702560144

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 ===================================================
 PERFORMING VARIANCE MINIMIZATION CALCULATION No. 20
 ===================================================

 Variance minimization configuration
 ===================================

 Number of nodes                                       : 16
 Number of configurations per node                     : 625
 Total number of configurations                        : 10000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            117
 Number of configurations       :            625
 -----------------------------------------------
 Electron positions             :        263 KiB
 Other energy buffers           :       4.88 KiB
 Local energies                 :       9.00 MiB
 NL2SOL work array (real)       :       9.32 MiB
 NL2SOL work array (int)        :          708 B
 -----------------------------------------------
 Total memory required          :       18.5 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  1.00342658E+00    -3.29846683E-03     3.05413206E-01    -1.65913308E+00
     3.34903866E+00    -1.50877688E+00    -3.74453923E+00     5.24873018E+00
    -1.98951657E+00     1.67963073E+00     3.00682473E-03    -2.09353071E-02
     6.08185603E-02    -1.10509516E-01     1.52303566E-01    -1.58193258E-01
     1.09258509E-01    -4.29168437E-02     7.18914924E-03 Bm  2.51642396E+00
    -8.57594506E-02    -1.56296944E-01     3.65406105E-01    -2.01497133E-01
     3.44313232E-02    -7.71973931E-02    -1.98966255E-01     4.34155059E-01
    -2.43011669E-01     4.25626696E-02 BP  6.13693575E+00     7.31272890E-05
    -2.81553855E-05    -8.95414769E-05     3.39096713E-05    -6.60939816E-07
     4.65178799E-07 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.53055487E+00     6.29457733E-03     1.90086167E-03    -3.83072568E-03
     8.02839685E-04     1.76211759E-03    -1.43438898E-03     4.38593838E-04
    -4.93037513E-05     1.05907319E-02     4.22832810E-03    -1.09355115E-02
     1.38121837E-02    -1.04038870E-02     4.58107815E-03    -1.07027911E-03
     1.03164899E-04 JX  3.39657916E+00    -2.75478744E-02    -1.15532923E-03
     3.23710522E-02    -4.06103760E-02     1.95677016E-02    -3.16752498E-03
 Jf  3.11347662E+00    -1.25244191E-04    -1.94325545E-06     8.07069966E-05
    -1.66695749E-03     4.94166661E-04    -2.36623131E-04     6.64307359E-04
     1.11016877E-03     1.66148064E-05    -4.42490060E-04     3.66596390E-04
    -8.27370515E-04     3.54694590E-04     2.93268585E-04    -9.76134081E-04
     6.57478884E-06     2.73626613E-05     5.41284164E-05     1.40421293E-04
    -1.22299587E-04     4.48973925E-04    -3.79697938E-04     1.32882644E-05
     4.91515352E-04    -7.15124239E-05     1.14551609E-05    -5.14118977E-05
    -2.61169119E-03     2.49188598E-03     2.57279506E-03    -2.21054852E-03
     8.75254485E-04     2.93060513E-03     3.27939858E-03    -6.80124894E-04
    -7.72974575E-05     1.31042621E-03    -1.66673282E-03    -4.92432233E-04
     8.57191516E-04    -1.60392471E-03     4.25221624E-04    -2.75876861E-04
     9.64388048E-04    -1.14832499E-03     2.46395583E-04     2.57830810E-03
    -9.89104697E-04     1.56342554E-05     7.81779501E-04    -1.75847911E-04
     7.99352440E-05

    Unreweighted variance of energy (a.u.)  :   1.730197E+00
           Unreweighted mean energy (a.u.)  :  -1.138242E+02

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  1.04357973E+00    -5.81669598E-03     2.91912593E-01    -1.23634587E+00
     2.27028675E+00    -1.20076080E+00    -2.05606819E+00     3.30133455E+00
    -1.36292002E+00     1.48739370E+00     7.51311047E-04    -2.00831383E-03
     8.88691904E-03    -7.88824557E-02     2.40239468E-01    -3.29499903E-01
     2.24417106E-01    -7.17674110E-02     7.77354823E-03 Bm  2.40463823E+00
    -3.32420610E-02    -1.79719239E-01     3.24887327E-01    -1.64797813E-01
     2.59018173E-02    -5.67110922E-02    -7.52945677E-02     2.02249304E-01
    -1.06043594E-01     1.54570362E-02 BP  6.49434468E+00     5.98529733E-05
    -2.29350897E-05    -9.76769713E-05     3.68422692E-05     7.58008906E-06
    -2.72536239E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.52918334E+00     5.85906012E-03     2.61211129E-03    -3.62556303E-03
    -8.24529364E-04     3.89804567E-03    -2.61741551E-03     7.22862603E-04
    -7.28808094E-05     9.86590609E-03     4.94051965E-03    -1.18684453E-02
     1.52985495E-02    -1.17206994E-02     5.19870677E-03    -1.21022635E-03
     1.14539288E-04 JX  3.40348414E+00    -2.59372150E-02     3.37319805E-03
     1.72549615E-02    -2.49768805E-02     1.25830498E-02    -2.04833482E-03
 Jf  3.11462772E+00    -9.57854574E-05    -3.07206858E-04     3.99028704E-04
    -1.11529244E-03     8.64120126E-05    -4.72300528E-05     9.37481015E-04
     1.64253386E-03     3.25939253E-05    -3.57652254E-04     3.79873776E-04
    -1.41498639E-03     1.24195700E-03     1.08108847E-04    -2.39136502E-03
     4.13105112E-04    -1.03537147E-04    -5.21022018E-05     3.12254854E-04
    -2.46447608E-04     1.46108185E-04    -3.61638171E-04     4.26864232E-05
     7.49626713E-04    -1.77884022E-04     4.93781259E-05    -6.83585573E-05
    -2.69998063E-03     2.57329294E-03     2.63754849E-03    -2.24586321E-03
     8.86037678E-04     3.02735991E-03     3.76137172E-03    -6.45710163E-04
    -2.53742475E-05     1.20402431E-03    -1.52475511E-03    -3.55702804E-04
     1.04412882E-03    -1.77888161E-03     2.98962533E-04    -2.10961358E-04
     9.98039413E-04    -1.27166202E-03     3.80333980E-04     2.62936962E-03
    -1.09905773E-03    -4.82369972E-06     8.11982409E-04    -1.24696690E-04
     4.94383410E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.730197E+00 ->   1.722609E+00
           Unreweighted mean energy (a.u.)  :  -1.138242E+02 ->  -1.138199E+02


 Writing parameters to correlation.out.20.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m13s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 3
 NL2SOL iteration     : 2

 Current parameters:
 Be  1.05163083E+00    -6.16092988E-03     2.98634531E-01    -1.14454964E+00
     1.81473138E+00    -7.68014229E-01    -1.36220924E+00     1.89002287E+00
    -7.16621823E-01     1.52606001E+00     6.65592399E-04    -3.97627571E-03
     2.39456041E-02    -1.11945833E-01     2.58710975E-01    -2.98513535E-01
     1.66827886E-01    -3.47418504E-02    -1.02913726E-03 Bm  2.42042617E+00
    -3.70008257E-02    -1.88225837E-01     3.59291636E-01    -1.91995823E-01
     3.22196645E-02    -8.17482551E-02     8.40106083E-03     1.05530720E-01
    -6.35818422E-02     9.91925977E-03 BP  6.65697047E+00     5.70363141E-05
    -2.17976344E-05    -9.74787039E-05     3.71506487E-05     8.13527462E-06
    -3.07103803E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.58045002E+00     5.57861912E-03     2.73609409E-03    -4.27456505E-03
     5.85836852E-05     3.40416161E-03    -2.52055576E-03     7.30958155E-04
    -7.65473998E-05     9.38543587E-03     4.89133755E-03    -1.18158667E-02
     1.50014463E-02    -1.11528379E-02     4.77241841E-03    -1.06955485E-03
     9.72841930E-05 JX  3.44050656E+00    -2.47946818E-02     3.32413871E-03
     1.65734548E-02    -2.34141142E-02     1.17465897E-02    -1.91349477E-03
 Jf  3.07616277E+00    -1.03112020E-04    -3.67339039E-04     4.53889007E-04
    -1.14040119E-03     6.10445181E-05    -4.42208136E-05     1.09174909E-03
     1.80224725E-03     4.49121122E-05    -4.17931959E-04     4.94605013E-04
    -1.59711997E-03     1.32095254E-03     1.40742534E-04    -2.62091711E-03
     4.53709625E-04    -1.14208233E-04    -4.90141160E-05     3.23715777E-04
    -2.77520256E-04     2.65838608E-04    -4.52110593E-04     5.25982445E-05
     8.77648878E-04    -2.07356165E-04     5.74467539E-05    -7.56366762E-05
    -2.95348621E-03     2.80148675E-03     2.94173061E-03    -2.48443754E-03
     9.80617476E-04     3.31864826E-03     4.02290547E-03    -6.86731977E-04
    -2.97453259E-05     1.34659222E-03    -1.75118418E-03    -4.51825181E-04
     1.14073358E-03    -1.82508407E-03     3.10675223E-04    -2.27841857E-04
     1.05994782E-03    -1.35664409E-03     3.88923815E-04     2.91679451E-03
    -1.21545533E-03    -2.10502592E-06     8.90414843E-04    -1.38385890E-04
     5.50561888E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.722609E+00 ->   1.603395E+00
           Unreweighted mean energy (a.u.)  :  -1.138199E+02 ->  -1.138260E+02


 Writing parameters to correlation.out.20.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m10s remaining]
 Done. [total CPU time: 4m10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 3

 Current parameters:
 Be  1.06015509E+00    -5.89453250E-03     2.60682832E-01    -9.24130598E-01
     1.35572791E+00    -6.02545302E-01    -6.54414628E-01     9.11198187E-01
    -3.33800681E-01     1.54576375E+00     7.02298494E-04    -4.48594153E-03
     2.56437885E-02    -1.10909443E-01     2.45299899E-01    -2.75776750E-01
     1.52417321E-01    -3.23998372E-02    -5.15424976E-04 Bm  2.35873746E+00
    -3.39118497E-02    -1.96406248E-01     3.57987925E-01    -1.83884952E-01
     2.95059096E-02    -7.89596019E-02     4.64168617E-03     9.26823241E-02
    -4.72780064E-02     5.61358391E-03 BP  6.85361749E+00     5.49846424E-05
    -2.09897514E-05    -9.94064385E-05     3.78391762E-05     9.65860770E-06
    -3.64547352E-06 BA  1.10000000E-08     1.10000000E-08     1.10000000E-08
 Ju  3.59559213E+00     5.44687179E-03     2.95071404E-03    -5.24106187E-03
     1.85379839E-03     1.74286849E-03    -1.68911719E-03     5.17751399E-04
    -5.45753075E-05     9.22394386E-03     4.84365881E-03    -1.17708018E-02
     1.49098300E-02    -1.10424979E-02     4.71595114E-03    -1.05629420E-03
     9.60670424E-05 JX  3.47941615E+00    -2.39760464E-02     3.50076034E-03
     1.61392988E-02    -2.23980915E-02     1.11336514E-02    -1.81471693E-03
 Jf  3.03054330E+00    -1.19616532E-04    -3.96662655E-04     4.75223063E-04
    -1.32862282E-03     1.24638006E-04    -9.58669470E-05     1.22007101E-03
     1.98558818E-03     6.13841492E-05    -4.85354749E-04     6.03334687E-04
    -1.79711509E-03     1.45075450E-03     1.48973278E-04    -2.96979563E-03
     5.25671476E-04    -1.27009340E-04    -5.72484083E-05     3.59925181E-04
    -3.23494191E-04     3.31446372E-04    -5.11807539E-04     6.13442581E-05
     1.00223145E-03    -2.40327712E-04     6.62557658E-05    -8.86734281E-05
    -3.27279407E-03     3.12464762E-03     3.21803903E-03    -2.76512867E-03
     1.08459602E-03     3.67696028E-03     4.52394834E-03    -7.52268585E-04
    -3.69937490E-05     1.53472551E-03    -1.99784661E-03    -5.72900232E-04
     1.30074105E-03    -2.03617538E-03     3.53048869E-04    -2.58835000E-04
     1.16756030E-03    -1.50891120E-03     4.21621511E-04     3.33323251E-03
    -1.38552259E-03    -1.47832700E-06     1.02542882E-03    -1.63610745E-04
     6.51810123E-05

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.603395E+00 ->   1.601639E+00
           Unreweighted mean energy (a.u.)  :  -1.138260E+02 ->  -1.138263E+02


 Writing parameters to correlation.out.20.

 Computing derivatives.
  [CPU time: 1m elapsed, 3m11s remaining]
 Done. [total CPU time: 4m9s]

 NL2SOL return code : 7
 Singular convergence.

 Optimization complete (numerical instabilities at minimum).

 Iterations           : 3
 Function evaluations : 8
 Variance reduced to  : 0.16016387E+01

 Writing parameters to correlation.out.20.


 *     *     *     *     *     *     *     *     *     *     *     *

 ====================================
 PERFORMING POST-FIT VMC CALCULATION.
 ====================================


 BEGIN VMC CALCULATION
 =====================

 No of up/down spin electrons initially associated with each ion:
 ----------------------------------------------------------------
 Ion,    # up-spin, # down-spin
 1            3          3
 2            3          3
 3            4          2
 [Use edist_by_ion/edist_by_iontype in input to change this]


 Running VMC equilibration (50000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 4m11s remaining]
  DTVMC #1:   1.4410E-01 (optimized)
  DTVMC #2:   1.1790E-01 (optimized)
 Done. [total CPU time: 5m9s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: good.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio #1 <level 1>        (%)  =  51.6547
 Acceptance ratio #2 <level 1>        (%)  =  51.7971
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0513
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.1905
 Diffusion constant #1           (Bohr^2)  = 1.0912E-02
 Diffusion constant #2           (Bohr^2)  = 9.0832E-03
 Correlation time                 (steps)  = 3.5150E+00 +- 4.3045E-01
 Efficiency                  (au^-2 s^-1)  = 1.6393E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.811584775349
  Standard error                        +/-           0.016143132877

  Kinetic energy KEI (used in Total) (au) =         113.994088147331
  Standard error                        +/-           1.507609288086

  Kinetic energy TI                  (au) =         113.953551339400
  Standard error                        +/-           0.825621640802

  Kinetic energy FISQ                (au) =         113.913014531469
  Standard error                        +/-           0.786559535824

  Potential energy                   (au) =        -269.697259404520
  Standard error                        +/-           1.506515854410

  e-e interaction                    (au) =          78.232732316955
  Standard error                        +/-           0.114873191900

  e-n interaction                    (au) =        -347.929991721475
  Standard error                        +/-           1.567229461314

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.241596169764
  Standard error                        +/-           0.043569294967

  Maximum distance from origin       (au) =           9.503821740888

  Particles affected per move       (%) :  99.9948


 Time taken in block    : : :        7.0000


 =========================================================================
 In block : 2

 Acceptance ratio #1 <level 1>        (%)  =  51.5103
 Acceptance ratio #2 <level 1>        (%)  =  51.4968
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9507
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.8428
 Diffusion constant #1           (Bohr^2)  = 1.1513E-02
 Diffusion constant #2           (Bohr^2)  = 8.9162E-03
 Correlation time                 (steps)  = 2.6741E+00 +- 2.5351E-01
 Efficiency                  (au^-2 s^-1)  = 2.0624E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.826292927883
  Standard error                        +/-           0.015418090533

  Kinetic energy KEI (used in Total) (au) =         116.548314234103
  Standard error                        +/-           1.096410204467

  Kinetic energy TI                  (au) =         114.527001696366
  Standard error                        +/-           0.601414634372

  Kinetic energy FISQ                (au) =         112.505689158629
  Standard error                        +/-           0.431603105215

  Potential energy                   (au) =        -272.266193643826
  Standard error                        +/-           1.094420021179

  e-e interaction                    (au) =          78.748276031533
  Standard error                        +/-           0.127693616572

  e-n interaction                    (au) =        -351.014469675358
  Standard error                        +/-           1.124502060994

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.297229946085
  Standard error                        +/-           0.057538640577

  Maximum distance from origin       (au) =           8.267459388722

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        7.0000


 =========================================================================
 In block : 3

 Acceptance ratio #1 <level 1>        (%)  =  51.5029
 Acceptance ratio #2 <level 1>        (%)  =  51.7655
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.8855
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0782
 Diffusion constant #1           (Bohr^2)  = 1.1157E-02
 Diffusion constant #2           (Bohr^2)  = 9.1723E-03
 Correlation time                 (steps)  = 3.0053E+00 +- 3.1322E-01
 Efficiency                  (au^-2 s^-1)  = 1.5635E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.804801342547
  Standard error                        +/-           0.017079440844

  Kinetic energy KEI (used in Total) (au) =         111.316302021838
  Standard error                        +/-           1.074472755294

  Kinetic energy TI                  (au) =         112.717066284054
  Standard error                        +/-           0.656581489887

  Kinetic energy FISQ                (au) =         114.117830546270
  Standard error                        +/-           0.805642575305

  Potential energy                   (au) =        -267.012689846225
  Standard error                        +/-           1.074856366976

  e-e interaction                    (au) =          78.625471165469
  Standard error                        +/-           0.092912426347

  e-n interaction                    (au) =        -345.638161011694
  Standard error                        +/-           1.104326761790

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.332273144034
  Standard error                        +/-           0.049469222556

  Maximum distance from origin       (au) =           7.677634774373

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        8.0000


 =========================================================================
 In block : 4

 Acceptance ratio #1 <level 1>        (%)  =  51.7046
 Acceptance ratio #2 <level 1>        (%)  =  51.7422
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0699
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0882
 Diffusion constant #1           (Bohr^2)  = 1.0731E-02
 Diffusion constant #2           (Bohr^2)  = 9.0540E-03
 Correlation time                 (steps)  = 2.9627E+00 +- 3.3813E-01
 Efficiency                  (au^-2 s^-1)  = 1.4892E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.850333163189
  Standard error                        +/-           0.018153649289

  Kinetic energy KEI (used in Total) (au) =         109.313169650443
  Standard error                        +/-           1.249351692091

  Kinetic energy TI                  (au) =         111.052406057500
  Standard error                        +/-           0.650706175484

  Kinetic energy FISQ                (au) =         112.791642464557
  Standard error                        +/-           0.471457340066

  Potential energy                   (au) =        -265.055089295473
  Standard error                        +/-           1.251741445513

  e-e interaction                    (au) =          78.398654694273
  Standard error                        +/-           0.095201705009

  e-n interaction                    (au) =        -343.453743989746
  Standard error                        +/-           1.272297656611

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.621596505073
  Standard error                        +/-           0.147343312983

  Maximum distance from origin       (au) =           8.234689771028

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        7.0000


 =========================================================================
 In block : 5

 Acceptance ratio #1 <level 1>        (%)  =  51.6201
 Acceptance ratio #2 <level 1>        (%)  =  51.7023
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0353
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0133
 Diffusion constant #1           (Bohr^2)  = 1.1351E-02
 Diffusion constant #2           (Bohr^2)  = 9.1454E-03
 Correlation time                 (steps)  = 3.2666E+00 +- 3.4589E-01
 Efficiency                  (au^-2 s^-1)  = 1.5504E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.833827155712
  Standard error                        +/-           0.016697327786

  Kinetic energy KEI (used in Total) (au) =         110.026599137320
  Standard error                        +/-           1.065169254720

  Kinetic energy TI                  (au) =         112.851566671416
  Standard error                        +/-           0.835073256545

  Kinetic energy FISQ                (au) =         115.676534205512
  Standard error                        +/-           1.415324509638

  Potential energy                   (au) =        -265.752012774873
  Standard error                        +/-           1.063854851040

  e-e interaction                    (au) =          78.333281653896
  Standard error                        +/-           0.109230383360

  e-n interaction                    (au) =        -344.085294428769
  Standard error                        +/-           1.115983577503

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.412642109589
  Standard error                        +/-           0.083334892030

  Maximum distance from origin       (au) =           8.460429722653

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        7.0000


 =========================================================================
 In block : 6

 Acceptance ratio #1 <level 1>        (%)  =  51.6267
 Acceptance ratio #2 <level 1>        (%)  =  51.9078
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0253
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.3328
 Diffusion constant #1           (Bohr^2)  = 1.1134E-02
 Diffusion constant #2           (Bohr^2)  = 9.2603E-03
 Correlation time                 (steps)  = 3.2011E+00 +- 3.1868E-01
 Efficiency                  (au^-2 s^-1)  = 1.4599E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.832680888453
  Standard error                        +/-           0.015696580639

  Kinetic energy KEI (used in Total) (au) =         104.928166194377
  Standard error                        +/-           0.941556041098

  Kinetic energy TI                  (au) =         109.656696774711
  Standard error                        +/-           0.691591205915

  Kinetic energy FISQ                (au) =         114.385227355046
  Standard error                        +/-           1.115028683038

  Potential energy                   (au) =        -260.652433564670
  Standard error                        +/-           0.939569699029

  e-e interaction                    (au) =          78.257835144424
  Standard error                        +/-           0.104779856796

  e-n interaction                    (au) =        -338.910268709093
  Standard error                        +/-           0.981556076185

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.339475002010
  Standard error                        +/-           0.064262207992

  Maximum distance from origin       (au) =           8.513156062470

  Particles affected per move       (%) :  99.9997


 Time taken in block    : : :        8.0000


 =========================================================================
 In block : 7

 Acceptance ratio #1 <level 1>        (%)  =  51.2926
 Acceptance ratio #2 <level 1>        (%)  =  51.9469
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.6878
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.2421
 Diffusion constant #1           (Bohr^2)  = 1.0893E-02
 Diffusion constant #2           (Bohr^2)  = 9.1183E-03
 Correlation time                 (steps)  = 2.7455E+00 +- 2.6364E-01
 Efficiency                  (au^-2 s^-1)  = 2.0399E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.804642868316
  Standard error                        +/-           0.016696180084

  Kinetic energy KEI (used in Total) (au) =         119.930096827104
  Standard error                        +/-           1.181558491317

  Kinetic energy TI                  (au) =         116.355673836399
  Standard error                        +/-           0.646363424893

  Kinetic energy FISQ                (au) =         112.781250845694
  Standard error                        +/-           0.584870135998

  Potential energy                   (au) =        -275.626326177261
  Standard error                        +/-           1.180035032437

  e-e interaction                    (au) =          78.076438824023
  Standard error                        +/-           0.105166276688

  e-n interaction                    (au) =        -353.702765001283
  Standard error                        +/-           1.197959664518

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.277445474491
  Standard error                        +/-           0.052541393996

  Maximum distance from origin       (au) =           7.583238135264

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        7.0000


 =========================================================================
 In block : 8

 Acceptance ratio #1 <level 1>        (%)  =  51.6920
 Acceptance ratio #2 <level 1>        (%)  =  51.5933
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1171
 Acceptance ratio #2 <levels 1-2>     (%)  =  50.0308
 Diffusion constant #1           (Bohr^2)  = 1.0950E-02
 Diffusion constant #2           (Bohr^2)  = 9.2402E-03
 Correlation time                 (steps)  = 3.3432E+00 +- 6.3086E-01
 Efficiency                  (au^-2 s^-1)  = 1.5803E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.854727894256
  Standard error                        +/-           0.015993390504

  Kinetic energy KEI (used in Total) (au) =         112.434603453826
  Standard error                        +/-           1.099292349574

  Kinetic energy TI                  (au) =         112.909255417802
  Standard error                        +/-           0.633045749355

  Kinetic energy FISQ                (au) =         113.383907381779
  Standard error                        +/-           0.640562977137

  Potential energy                   (au) =        -268.180917829923
  Standard error                        +/-           1.097259445410

  e-e interaction                    (au) =          78.117529302527
  Standard error                        +/-           0.107224295157

  e-n interaction                    (au) =        -346.298447132450
  Standard error                        +/-           1.138185812849

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.354119329614
  Standard error                        +/-           0.073349831087

  Maximum distance from origin       (au) =           7.672775475646

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        7.0000


 =========================================================================
 In block : 9

 Acceptance ratio #1 <level 1>        (%)  =  51.7459
 Acceptance ratio #2 <level 1>        (%)  =  51.5875
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.1371
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9301
 Diffusion constant #1           (Bohr^2)  = 1.1305E-02
 Diffusion constant #2           (Bohr^2)  = 9.1233E-03
 Correlation time                 (steps)  = 2.9234E+00 +- 3.4021E-01
 Efficiency                  (au^-2 s^-1)  = 1.5967E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.819426945207
  Standard error                        +/-           0.016795200052

  Kinetic energy KEI (used in Total) (au) =         119.296594554617
  Standard error                        +/-           1.510969046996

  Kinetic energy TI                  (au) =         116.153141234435
  Standard error                        +/-           0.778335827594

  Kinetic energy FISQ                (au) =         113.009687914253
  Standard error                        +/-           0.462675816006

  Potential energy                   (au) =        -275.007607981664
  Standard error                        +/-           1.508580452294

  e-e interaction                    (au) =          78.497701839465
  Standard error                        +/-           0.106398006612

  e-n interaction                    (au) =        -353.505309821129
  Standard error                        +/-           1.538538918745

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.341052811724
  Standard error                        +/-           0.060379675376

  Maximum distance from origin       (au) =           7.099380995310

  Particles affected per move       (%) :  100.0000


 Time taken in block    : : :        8.0000


 =========================================================================
 In block : 10

 Acceptance ratio #1 <level 1>        (%)  =  51.6494
 Acceptance ratio #2 <level 1>        (%)  =  51.3969
 Acceptance ratio #1 <levels 1-2>     (%)  =  50.0519
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.7895
 Diffusion constant #1           (Bohr^2)  = 1.1118E-02
 Diffusion constant #2           (Bohr^2)  = 9.1035E-03
 Correlation time                 (steps)  = 2.6805E+00 +- 2.7690E-01
 Efficiency                  (au^-2 s^-1)  = 1.8758E+02
 No. of VMC steps per process              = 313

  Block average energies (au)

  Total energy                       (au) =        -113.817643913452
  Standard error                        +/-           0.016773541367

  Kinetic energy KEI (used in Total) (au) =         119.160324424649
  Standard error                        +/-           0.948471129402

  Kinetic energy TI                  (au) =         115.577591395260
  Standard error                        +/-           0.514162248171

  Kinetic energy FISQ                (au) =         111.994858365871
  Standard error                        +/-           0.319918435434

  Potential energy                   (au) =        -274.869554819941
  Standard error                        +/-           0.948482324477

  e-e interaction                    (au) =          78.857674097140
  Standard error                        +/-           0.111615214073

  e-n interaction                    (au) =        -353.727228917081
  Standard error                        +/-           0.994338921543

  Constant energy contributions      (au) =          41.891586481840

  Variance of local energy           (au) =           1.422899091252
  Standard error                        +/-           0.153301331609

  Maximum distance from origin       (au) =           8.135222809739

  Particles affected per move       (%) :  99.9988


 Time taken in block    : : :        7.0000

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -113.825596187436 +/- 0.005237175932      No correction
 -113.825596187436 +/- 0.009118915963      Correlation time method
 -113.825596187436 +/- 0.009192617750      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -113.825596187436 +/-       0.009192617750
    stderr:      0.009192617750 +/-       0.000939135193
    errfac:      1.754994340843 +/-       0.179293536778
    N_corr:      3.080005136392 +/-       0.629318284789
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   5.237976E-03   6.621337E-05
            2   6.053647E-03   1.082390E-04
            4   6.971051E-03   1.763270E-04
            8   7.791184E-03   2.788798E-04
           16   8.489411E-03   4.302920E-04
           32   8.969349E-03   6.445851E-04
           64   9.192618E-03   9.391352E-04  *** BEST ***
          128   8.152792E-03   1.190395E-03
          256   6.498308E-03   1.371393E-03
          512   5.416153E-03   1.693659E-03
         1024   6.234138E-03   3.073847E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.364032958364 +- 0.033558572343

 =========================================================================


 Total CASINO CPU time  : : :    39853.0000
 Total CASINO real time : : :    40571.1367


 Subroutine timers deactivated (use TIMING_INFO input keyword)

 =========================================================================
 Ends 2017/06/02 01:47:51.053
