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                     The Cambridge Quantum Monte Carlo Code
               CASINO v2.13.601 [Mike Towler] (29 November 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 2016/12/22 17:15:11.096

 Running in parallel using 480 MPI processes.

 General input parameters
 ========================
 NEU (num up spin electrons)              :  0
 NED (num down spin electrons)            :  0
 RUNTYPE (type of run)                    :  vmc_dmc
 PSI_S  (form for [anti]symmetrizing wfn) :  mahan_ex
 ATOM_BASIS_TYPE (atom-centred orb basis) :  none
 INTERACTION (interaction type)           :  ewald
 TESTRUN (read input data,print and stop) :  F
 PERIODIC                                 :  T
 NPCELLS (num primitive cells)            :  0
 COMPLEX_WF (complex Slater wave fn.)     :  T
 NEIGHPRINT (neighbour analysis)          :  0
 USE_JASTROW (use Jastrow factor)         :  T
 BACKFLOW (use backflow corrections)      :  T
 NON_LOCAL_GRID (NL integration grid)     :  4
 E_OFFSET (energy offset)                 :  0.0000
 ESUPERCELL                               :  F
 SPARSE                                   :  F
 CHECKPOINT (checkpointing level)         :  1
 CHECKPOINT_NCPU (chkpnt group size)      :  480
 CON_LOC (Dir to read/write config.*)     :  ./
 RELATIVISTIC                             :  F

 VMC/DMC 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)                :  128
 VMC_NCONFIG_WRITE (num configs to write) :  128
 VMC_NBLOCK (num VMC blocks)              :  1
 VMC_EQUIL_NSTEP (num equil steps)        :  10000
 VMC_DECORR_PERIOD (length of inner loop) :  50
 VMC_AVE_PERIOD (hist reduction factor)   :  1
 VMC_SAMPLING                             :  standard
 DMC_TARGET_WEIGHT                        :  1024.00
 DMC_MD                                   :  F
 DMC_EQUIL_NSTEP (num equil steps)        :  8000
 DMC_EQUIL_NBLOCK (num blocks)            :  40
 DMC_STATS_NSTEP (num stats steps)        :  100000
 DMC_STATS_NBLOCK (num blocks)            :  200
 DMC_DECORR_PERIOD (length of inner loop) :  1
 DMC_AVE_PERIOD (hist reduction factor)   :  1
 DMC_TRIP_WEIGHT (catastrophe thres)      :  0.00
 EBEST_AV_WINDOW (running av for energy)  :  25
 DMC_METHOD (choice of DMC algorithm)     :  1
 DMC_REWEIGHT_CONF (Update weights)       :  F
 DMC_SPACEWARPING (adjust e to new wfn)   :  F
 REDIST_GRP_SIZE (size of redist groups)  :  500
 DTDMC (DMC time step)                    :  0.01000
 TPDMC (DMC T_p parameter)                :  0
 CEREFDMC (constant for EREF [DMC])       :  1.000
 LIMDMC (limit type for drift vel/energy) :  4
 NUCLEUS_GF_MODS (DMC GF mods for nuclei) :  T
 IACCUM (flag for statistics run [DMC])   :  T
 IBRAN (flag to enable branching [DMC])   :  T
 LWDMC (flag for enabling weighted DMC)   :  F
 LWDMC_FIXPOP (fixed population LWDMC)    :  F
 DMC_NORM_CONSERVE                        :  F
 DMC_POPRENORM (renormalize config popn)  :  F
 GROWTH_ESTIMATOR (calc growth estimator) :  F
 USE_TMOVE                                :  F
 FUTURE WALKING                           :  F
 SMALL_TRANSFER (redist. transf. size)    :  F
 ORBBUF (orbital buffering)               :  T
 JASBUF (Jastrow buffering)               :  T
 MAKEMOVIE                                :  F
 FORCES                                   :  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
 3: Spin-up holes              1.00000       1.0000000     0.5   Fermion
 -------------------------------------------------------------------------

 Number of diffusion types : 2

 Single-particle groupings
 -------------------------
 Spin dep. 0 : (1,2,3) [E]
 Spin dep. 1 : (1,2) (3) [F]
 Spin dep. 2 : (1) (2) (3)

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

 Particle-pair groupings
 -----------------------
 Spin-pair dep. 0 : (1-1,1-2,1-3,2-2,2-3,3-3)
 Spin-pair dep. 1 : (1-1,2-2,3-3) (1-2) (1-3,2-3)
 Spin-pair dep. 2 : (1-1,2-2,3-3) (1-2) (1-3) (2-3)
 Spin-pair dep. 3 : (1-1,2-2) (1-2) (1-3) (2-3) (3-3)
 Spin-pair dep. 4 : (1-1) (1-2) (1-3) (2-2) (2-3) (3-3)

 Initialize random number generator
 ==================================
 Generator                                 :  RANLUX
 RANLUX luxury level                       :  3
 p value                                   :  223
 Value of random seed on node 0            :  286677916

 Initialized with seed derived from timer.

 Reading correlation.data
 ========================
 Header:
   3D fluid electron-hole gas
   CASINO example file generated 080805 (PLR)
 Version of correlation.data : 1
 A Jastrow factor is present in correlation.data.
 A backflow function is present in correlation.data.
 A MAHAN set is present in correlation.data.

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

 Single determinant :

 Det 1 spin 1           : ground state
 Det 1 spin 2           : ground state
 Det 1 spin 3           : ground state
 Det 1 coefficient      : 1.00000000

 Free-particle orbitals
 ======================
 MD term  Det  Particle  No. particles  Type of free orbitals
 ----------------------------------------------------------------
 1        1    1         43             Complex plane waves
          2    2         43             Complex plane waves
          3    3         1              Complex plane waves
 ----------------------------------------------------------------

 Model system geometry setup
 ===========================
 Dimensionality                                 : 2
 Periodicity                                    : 2
 r_s parameter                                  : 0.988438917816
 Density                                        : 0.325799530565
 Spin polarization 1-2                          : 0.000000000000
 Direct lattice vectors                         :
  A1 =      0.175597805203E+02    0.000000000000E+00
  A2 =     -0.877989026013E+01    0.152072160154E+02
 Reciprocal lattice vectors                     :
  B1 =      0.357816847422E+00    0.206585653180E+00
  B2 =      0.000000000000E+00    0.413171306359E+00
 Simulation cell area                           : 2.670353755551E+02
 Radius of circle inscribed in Wigner-Seitz cell: 8.7798902601316
 Offset to k-vector lattice                     :
  k_s = 0.000000000000000E+000  0.000000000000000E+000

 Free-particle orbital setup
 ===========================
 Free-particle orbitals set up.

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

 Interactions
 ============
 Interaction type: Coulomb

 Setup 2D Ewald interaction.

 No. of G in reciprocal space sum  :  15
 No. of vectors in real space sum  :  13
 Maximum |G|^2 (au)                :  0.37448222E-01
 Gamma^(1/2) = Gaussian half-width :  1.46867886E-01
 Electron self-image term v_M (au) :  -0.239947340804764

 Squared magnitude of Fermi wave vector (au)
 ===========================================
 |k_F|^2 for spin 1 : 2.048526340782
 |k_F|^2 for spin 2 : 2.048526340782
 |k_F|^2 for spin 3 : 0.000000000000

 Hartree-Fock energies of finite system in au per particle
 =========================================================
 (Using Ewald interaction.)
 HF kinetic energy         :  0.506245015251
 HF exchange energy        : -0.599622961027
 HF energy                 : -0.093377945776

 Hartree-Fock energies of infinite system in au per particle
 ===========================================================
 HF kinetic energy         :  0.500202839757
 HF exchange energy        : -0.597850021425
 HF energy                 : -0.097647181668

 Mahan exciton wave function
 ===========================
 Reading correlation.data file.

 Title: 7e HEG --- example correlation.data file

 Eta_G term:
  Expansion order: 6
  Spin dependence: 0
  Total number of stars (for majority spin): 7
  Number of optimisable stars: 6
   Parameters for star number: 2
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   6.991108629706
     c_2_0                     (opt) :   0.163893791862
     c_2_1                     (opt) :  -0.267074548794
     c_2_2                     (opt) :   0.227863845917
     c_2_3                     (opt) :  -0.165199106901
     c_2_4                     (opt) :   0.064660574115
     c_2_5                     (opt) :  -0.011643189878
     c_2_6                     (opt) :   0.000808180983
   Parameters for star number: 3
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   6.991108629706
     c_3_0                     (opt) :   0.297827367967
     c_3_1                     (opt) :  -0.115725310950
     c_3_2                     (opt) :   0.000307097983
     c_3_3                     (opt) :   0.010771589599
     c_3_4                     (opt) :  -0.000149635983
     c_3_5                     (opt) :  -0.001066784723
     c_3_6                     (opt) :   0.000161275874
   Parameters for star number: 4
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   6.991108629706
     c_4_0                     (opt) :   0.262072408847
     c_4_1                     (opt) :  -0.047154084408
     c_4_2                     (opt) :  -0.020799877295
     c_4_3                     (opt) :  -0.000374578817
     c_4_4                     (opt) :   0.007809800544
     c_4_5                     (opt) :  -0.002018122210
     c_4_6                     (opt) :   0.000159782709
   Parameters for star number: 5
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   6.991108629706
     c_5_0                     (opt) :   0.220327781319
     c_5_1                     (opt) :  -0.064273278396
     c_5_2                     (opt) :  -0.008817357652
     c_5_3                     (opt) :   0.007716080954
     c_5_4                     (opt) :  -0.000475353907
     c_5_5                     (opt) :  -0.000360515573
     c_5_6                     (opt) :   0.000053672370
   Parameters for star number: 6
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   6.991108629706
     c_6_0                     (opt) :   0.295026063441
     c_6_1                     (opt) :  -0.067517219385
     c_6_2                     (opt) :  -0.002179346983
     c_6_3                     (opt) :   0.009476855604
     c_6_4                     (opt) :  -0.000202185130
     c_6_5                     (opt) :  -0.000626655808
     c_6_6                     (opt) :   0.000086754385
   Parameters for star number: 7
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   6.991108629706
     c_7_0                     (opt) :   0.290191051232
     c_7_1                     (opt) :  -0.011761217789
     c_7_2                     (opt) :  -0.017637959665
     c_7_3                     (opt) :   0.014704216058
     c_7_4                     (opt) :  -0.000521620636
     c_7_5                     (opt) :  -0.000602250273
     c_7_6                     (opt) :   0.000087128713

 Found u_G term in correlation.data;
 will run with orbital-dependent Jastrow.

 u_G term:
  Expansion order: 6
  Spin dependence: 0
  Total number of stars (for majority spin): 7
  Number of optimisable stars: 6
   Parameters for star number: 2
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   5.496829254622
     c_2_1                     (opt) :   0.369438733691
     c_2_2                     (opt) :  -0.365459392335
     c_2_3                     (opt) :   0.179959754742
     c_2_4                     (opt) :  -0.057649357609
     c_2_5                     (opt) :   0.008230819149
     c_2_6                     (opt) :  -0.000324178137
   Parameters for star number: 3
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   5.496829254622
     c_3_1                     (opt) :   0.449577863812
     c_3_2                     (opt) :  -0.389198381133
     c_3_3                     (opt) :   0.182226312747
     c_3_4                     (opt) :  -0.065697793104
     c_3_5                     (opt) :   0.011388604150
     c_3_6                     (opt) :  -0.000679587854
   Parameters for star number: 4
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   5.496829254622
     c_4_1                     (opt) :   0.543835163844
     c_4_2                     (opt) :  -0.327145015439
     c_4_3                     (opt) :   0.152198282116
     c_4_4                     (opt) :  -0.038348076732
     c_4_5                     (opt) :   0.004678078146
     c_4_6                     (opt) :   0.000099590346
   Parameters for star number: 5
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   5.496829254622
     c_5_1                     (opt) :   0.469196194316
     c_5_2                     (opt) :  -0.372465094063
     c_5_3                     (opt) :   0.155899569349
     c_5_4                     (opt) :  -0.038014600275
     c_5_5                     (opt) :   0.002808741418
     c_5_6                     (opt) :   0.000055194442
   Parameters for star number: 6
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   5.496829254622
     c_6_1                     (opt) :   0.581607660290
     c_6_2                     (opt) :  -0.336995019019
     c_6_3                     (opt) :   0.128526347927
     c_6_4                     (opt) :  -0.023991379795
     c_6_5                     (opt) :   0.000196933636
     c_6_6                     (opt) :   0.000325553863
   Parameters for star number: 7
     Truncation order (always fixed) :   3.000000000000
     Cutoff length             (opt) :   5.496829254622
     c_7_1                     (opt) :   0.685324991689
     c_7_2                     (opt) :  -0.365486651577
     c_7_3                     (opt) :   0.179057619859
     c_7_4                     (opt) :  -0.023600527061
     c_7_5                     (opt) :  -0.004415149167
     c_7_6                     (opt) :   0.001259624895

 Finished Mahan setup.

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

 Title: e-h two-component plasma phase

 Truncation order                   :  3

 U term:
  SET 1
   Spherical harmonic l             :  0
   Spherical harmonic m             :  0
   Expansion order (N_u)            :  6
   Spin dependence                  :  1
   Cutoff             (optimizable) :  8.372233433818630E+00
   alpha_0,1          (optimizable) :  8.871044615199432E-04
   alpha_2,1          (optimizable) : -2.852158257506133E-05
   alpha_3,1          (optimizable) :  1.367052646696270E-05
   alpha_4,1          (optimizable) :  4.895473953300868E-07
   alpha_5,1          (optimizable) : -3.360625418998123E-07
   alpha_6,1          (optimizable) :  2.420266381673140E-08
   alpha_0,2          (optimizable) :  2.556584422737439E-03
   alpha_2,2          (optimizable) :  1.306394085441367E-04
   alpha_3,2          (optimizable) :  2.330678228992276E-05
   alpha_4,2          (optimizable) : -7.861472585521699E-06
   alpha_5,2          (optimizable) :  4.326659378926067E-07
   alpha_6,2          (optimizable) :  9.674319619013301E-09
   alpha_0,3          (optimizable) : -2.332457327921507E-02
   alpha_2,3          (optimizable) : -1.880495491203853E-04
   alpha_3,3          (optimizable) :  4.463366789926143E-05
   alpha_4,3          (optimizable) :  1.301133538869744E-04
   alpha_5,3          (optimizable) : -2.573871655755354E-05
   alpha_6,3          (optimizable) :  1.394967391634088E-06
   No. of parameters in set         :  18
   (In addition to the cutoff length.)

 P term:
  Spin dependence                   :  1
  Number of G-vectors               :  18
  G-vector           Label
   (1,0,0)             1
   (1,-1,0)            1
   (0,1,0)             1
   (2,-1,0)            2
   (1,-2,0)            2
   (1,1,0)             2
   (2,0,0)             3
   (2,-2,0)            3
   (0,2,0)             3
   (3,-1,0)            4
   (3,-2,0)            4
   (2,-3,0)            4
   (1,2,0)             4
   (2,1,0)             4
   (1,-3,0)            4
   (3,0,0)             5
   (3,-3,0)            5
   (0,3,0)             5
  There are 5 independent expansion coefficients a_A.
   a_1,1              (optimizable) : -5.609456113801690E-02
   a_2,1              (optimizable) : -1.408112442691933E-02
   a_3,1              (optimizable) : -8.083092521755741E-03
   a_4,1              (optimizable) : -1.482605630360678E-03
   a_5,1              (optimizable) : -2.760434101373039E-04
   a_1,2              (optimizable) : -8.082028959745437E-03
   a_2,2              (optimizable) :  4.036064505352195E-04
   a_3,2              (optimizable) : -1.125827511016378E-03
   a_4,2              (optimizable) : -1.844397519953630E-03
   a_5,2              (optimizable) : -7.106646271796908E-04
   a_1,3              (optimizable) : -2.091688721237340E+00
   a_2,3              (optimizable) : -8.439218759801040E-01
   a_3,3              (optimizable) : -5.167552984143270E-01
   a_4,3              (optimizable) : -9.742839544838729E-02
   a_5,3              (optimizable) : -2.487503586401453E-02
  No. of parameters                 :  15

 Finished reading Jastrow factor from correlation.data.

 G-vector arrays set up.
 Polynomials constructed.
 Plane-wave expansion coefficients constructed.
 Checked that cusp and cutoff conditions are satisfied.

 Finished Jastrow setup.

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

 Backflow function:
  Title                  :  Jellium rs=20
  Truncation order       :  3
  Discontinuities        :  None

  Eta term:
   Expansion order       :  8
   Spin dependence       :  1
   Cutoff for s=1  (opt) :  8.437563026456
   Cutoff for s=2  (opt) :  7.571800920457
   Cutoff for s=3  (opt) :  8.444019200611
   No. of free params    :  26 + 3 cut-off lengths
   c_0,1   (optimizable) :  0.045900362871
   c_2,1   (optimizable) : -0.010430497153
   c_3,1   (optimizable) :  0.001526206595
   c_4,1   (optimizable) :  0.000059844706
   c_5,1   (optimizable) : -0.000008765813
   c_6,1   (optimizable) : -0.000001961580
   c_7,1   (optimizable) : -0.000000191430
   c_8,1   (optimizable) :  0.000000056152
   c_0,2   (optimizable) :  0.350898946617
   c_1,2   (optimizable) : -0.204196350223
   c_2,2   (optimizable) :  0.046144557581
   c_3,2   (optimizable) :  0.001861225758
   c_4,2   (optimizable) : -0.001611631224
   c_5,2   (optimizable) :  0.000001654525
   c_6,2   (optimizable) :  0.000053919524
   c_7,2   (optimizable) : -0.000007239797
   c_8,2   (optimizable) :  0.000000350194
   c_0,3   (optimizable) : -0.223732263405
   c_1,3   (optimizable) :  0.147104772355
   c_2,3   (optimizable) : -0.026290268830
   c_3,3   (optimizable) : -0.001824467976
   c_4,3   (optimizable) :  0.000166752442
   c_5,3   (optimizable) :  0.000152085431
   c_6,3   (optimizable) : -0.000012532544
   c_7,3   (optimizable) : -0.000001722103
   c_8,3   (optimizable) :  0.000000093733

 Finished reading backflow functions from correlation.data.

 Allocated work arrays, using 819 KiB.
 Imposed e-e cusp conditions.

 Finished backflow setup.


 Setup complete.

 Time taken in setup    : : :        0.1110

 ======================================================
 PERFORMING A VMC CONFIGURATION-GENERATION CALCULATION.
 ======================================================


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

 Random number generator reset to state in config.in.

 Warning: [INITIALIZE_VMC] Discarding existing checkpoint data as NEWRUN=T.

 Running VMC equilibration (10000 moves).
  Performing time-step optimization.
  [CPU time: 1m elapsed, 9m35s remaining]
  DTVMC #1:   5.7485E-01 (optimized)
  DTVMC #2:   2.3054E+00 (optimized)
 Done. [total CPU time: 10m26s]

 Kinetic energy check
 ====================
 Checking KE for particle 1 of spin 1
 ------------------------------------
 mahan_ex :
  Analytical Fisq    : 0.11960154E+00
  Analytical Ti      : 0.20383676E+00
 Jastrow factor :
  Analytical Fisq    : 0.10401496E+00
  Analytical Ti      : 0.23518244E+00
 ------------------------------------
 Iteration           : 1
 Stepsize            : 0.10000000E+00
 mahan_ex :
  Numerical Fisq     : 0.11935520E+00
  Rel. diff. in Fisq : 0.20597095E-02
  Fisq quality       : bad
  Numerical Ti       : 0.20354820E+00
  Rel. diff. in Ti   : 0.14156114E-02
  Ti quality         : bad
 Jastrow factor :
  Numerical Fisq     : 0.10398371E+00
  Rel. diff. in Fisq : 0.30041620E-03
  Fisq quality       : poor
  Numerical Ti       : 0.23481008E+00
  Rel. diff. in Ti   : 0.15832437E-02
  Ti quality         : bad
 ------------------------------------
 Iteration           : 2
 Stepsize            : 0.59000000E-01
 mahan_ex :
  Numerical Fisq     : 0.11951573E+00
  Rel. diff. in Fisq : 0.71753193E-03
  Fisq quality       : poor
  Numerical Ti       : 0.20373654E+00
  Rel. diff. in Ti   : 0.49164972E-03
  Ti quality         : poor
 Jastrow factor :
  Numerical Fisq     : 0.10400414E+00
  Rel. diff. in Fisq : 0.10405268E-03
  Fisq quality       : poor
  Numerical Ti       : 0.23505271E+00
  Rel. diff. in Ti   : 0.55158853E-03
  Ti quality         : poor
 ------------------------------------
 Iteration           : 3
 Stepsize            : 0.34810000E-01
 mahan_ex :
  Numerical Fisq     : 0.11957174E+00
  Rel. diff. in Fisq : 0.24920803E-03
  Fisq quality       : poor
  Numerical Ti       : 0.20380293E+00
  Rel. diff. in Ti   : 0.16595257E-03
  Ti quality         : poor
 Jastrow factor :
  Numerical Fisq     : 0.10401120E+00
  Rel. diff. in Fisq : 0.36164285E-04
  Fisq quality       : poor
  Numerical Ti       : 0.23513727E+00
  Rel. diff. in Ti   : 0.19203176E-03
  Ti quality         : poor
 ------------------------------------
 Iteration           : 4
 Stepsize            : 0.20537900E-01
 mahan_ex :
  Numerical Fisq     : 0.11959119E+00
  Rel. diff. in Fisq : 0.86561764E-04
  Fisq quality       : poor
  Numerical Ti       : 0.20382600E+00
  Rel. diff. in Ti   : 0.52773060E-04
  Ti quality         : poor
 Jastrow factor :
  Numerical Fisq     : 0.10401365E+00
  Rel. diff. in Fisq : 0.12581949E-04
  Fisq quality       : poor
  Numerical Ti       : 0.23516671E+00
  Rel. diff. in Ti   : 0.66849162E-04
  Ti quality         : poor
 ------------------------------------
 Iteration           : 5
 Stepsize            : 0.12117361E-01
 mahan_ex :
  Numerical Fisq     : 0.11959794E+00
  Rel. diff. in Fisq : 0.30120184E-04
  Fisq quality       : poor
  Numerical Ti       : 0.20383314E+00
  Rel. diff. in Ti   : 0.17740078E-04
  Ti quality         : poor
 Jastrow factor :
  Numerical Fisq     : 0.10401451E+00
  Rel. diff. in Fisq : 0.43789478E-05
  Fisq quality       : good
  Numerical Ti       : 0.23517696E+00
  Rel. diff. in Ti   : 0.23270589E-04
  Ti quality         : poor
 ------------------------------------
 Iteration           : 6
 Stepsize            : 0.71492430E-02
 mahan_ex :
  Numerical Fisq     : 0.11960029E+00
  Rel. diff. in Fisq : 0.10484916E-04
  Fisq quality       : poor
  Numerical Ti       : 0.20383550E+00
  Rel. diff. in Ti   : 0.61757440E-05
  Ti quality         : good
 Jastrow factor :
  Numerical Fisq     : 0.10401480E+00
  Rel. diff. in Fisq : 0.15242111E-05
  Fisq quality       : good
  Numerical Ti       : 0.23518053E+00
  Rel. diff. in Ti   : 0.81006507E-05
  Ti quality         : good
 ------------------------------------
 Iteration           : 7
 Stepsize            : 0.42180534E-02
 mahan_ex :
  Numerical Fisq     : 0.11960111E+00
  Rel. diff. in Fisq : 0.36497802E-05
  Fisq quality       : good
  Numerical Ti       : 0.20383632E+00
  Rel. diff. in Ti   : 0.21362691E-05
  Ti quality         : good
 Jastrow factor :
  Numerical Fisq     : 0.10401491E+00
  Rel. diff. in Fisq : 0.53056710E-06
  Fisq quality       : good
  Numerical Ti       : 0.23518177E+00
  Rel. diff. in Ti   : 0.28197596E-05
  Ti quality         : good
 ------------------------------------
 Iteration           : 8
 Stepsize            : 0.24886515E-02
 mahan_ex :
  Numerical Fisq     : 0.11960139E+00
  Rel. diff. in Fisq : 0.12704978E-05
  Fisq quality       : good
  Numerical Ti       : 0.20383661E+00
  Rel. diff. in Ti   : 0.70290767E-06
  Ti quality         : good
 Jastrow factor :
  Numerical Fisq     : 0.10401494E+00
  Rel. diff. in Fisq : 0.18468991E-06
  Fisq quality       : good
  Numerical Ti       : 0.23518220E+00
  Rel. diff. in Ti   : 0.98300358E-06
  Ti quality         : good
 ------------------------------------
 Iteration           : 9
 Stepsize            : 0.14683044E-02
 mahan_ex :
  Numerical Fisq     : 0.11960149E+00
  Rel. diff. in Fisq : 0.44225553E-06
  Fisq quality       : good
  Numerical Ti       : 0.20383670E+00
  Rel. diff. in Ti   : 0.26733983E-06
  Ti quality         : good
 Jastrow factor :
  Numerical Fisq     : 0.10401496E+00
  Rel. diff. in Fisq : 0.64292611E-07
  Fisq quality       : optimal
  Numerical Ti       : 0.23518235E+00
  Rel. diff. in Ti   : 0.34461672E-06
  Ti quality         : good
 ------------------------------------
 Iteration           : 10
 Stepsize            : 0.86629958E-03
 mahan_ex :
  Numerical Fisq     : 0.11960152E+00
  Rel. diff. in Fisq : 0.15382187E-06
  Fisq quality       : good
  Numerical Ti       : 0.20383682E+00
  Rel. diff. in Ti   : 0.33550044E-06
  Ti quality         : good
 Jastrow factor :
  Numerical Fisq     : 0.10401496E+00
  Rel. diff. in Fisq : 0.22380881E-07
  Fisq quality       : optimal
  Numerical Ti       : 0.23518240E+00
  Rel. diff. in Ti   : 0.12924847E-06
  Ti quality         : good
 ------------------------------------
 Iteration           : 11
 Stepsize            : 0.51111675E-03
 mahan_ex :
  Numerical Fisq     : 0.11960154E+00
  Rel. diff. in Fisq : 0.53495474E-07
  Fisq quality       : optimal
  Numerical Ti       : 0.20383699E+00
  Rel. diff. in Ti   : 0.11529241E-05
  Ti quality         : good
 Jastrow factor :
  Numerical Fisq     : 0.10401496E+00
  Rel. diff. in Fisq : 0.77809703E-08
  Fisq quality       : optimal
  Numerical Ti       : 0.23518242E+00
  Rel. diff. in Ti   : 0.47775135E-07
  Ti quality         : optimal
 ------------------------------------
 Iteration           : 12
 Stepsize            : 0.30155888E-03
 mahan_ex :
  Numerical Fisq     : 0.11960154E+00
  Rel. diff. in Fisq : 0.17915018E-07
  Fisq quality       : optimal
  Numerical Ti       : 0.20383718E+00
  Rel. diff. in Ti   : 0.20738163E-05
  Ti quality         : good
 Jastrow factor : done
 ------------------------------------
 Iteration           : 13
 Stepsize            : 0.17791974E-03
 mahan_ex :
  Numerical Fisq     : 0.11960154E+00
  Rel. diff. in Fisq : 0.44656516E-08
  Fisq quality       : optimal
  Numerical Ti       : 0.20383845E+00
  Rel. diff. in Ti   : 0.83355543E-05
  Ti quality         : good
 Jastrow factor : done
 ------------------------------------
 Iteration           : 14
 Stepsize            : 0.10497265E-03
 mahan_ex :
  Numerical Fisq     : 0.11960154E+00
  Rel. diff. in Fisq : 0.19959016E-08
  Fisq quality       : optimal
  Numerical Ti       : 0.20383377E+00
  Rel. diff. in Ti   : 0.14646209E-04
  Ti quality         : good
 Jastrow factor : done
 ------------------------------------
 Iteration           : 15
 Stepsize            : 0.61933862E-04
 mahan_ex :
  Numerical Fisq     : 0.11960154E+00
  Rel. diff. in Fisq : 0.63000083E-09
  Fisq quality       : optimal
  Numerical Ti       : 0.20384508E+00
  Rel. diff. in Ti   : 0.40848531E-04
  Ti quality         : good
 Jastrow factor : done
 ------------------------------------
 Iteration           : 16
 Stepsize            : 0.36540979E-04
 mahan_ex :
  Numerical Fisq     : 0.11960154E+00
  Rel. diff. in Fisq : 0.46711490E-08
  Fisq quality       : optimal
  Numerical Ti       : 0.20383808E+00
  Rel. diff. in Ti   : 0.64920561E-05
  Ti quality         : good
 Jastrow factor : done
 ------------------------------------
 Iteration           : 17
 Stepsize            : 0.21559177E-04
 mahan_ex :
  Numerical Fisq     : 0.11960154E+00
  Rel. diff. in Fisq : 0.41990469E-08
  Fisq quality       : optimal
  Numerical Ti       : 0.20389984E+00
  Rel. diff. in Ti   : 0.30950648E-03
  Ti quality         : good
 Jastrow factor : done
 ------------------------------------
 Iteration           : 18
 Stepsize            : 0.12719915E-04
 mahan_ex :
  Numerical Fisq     : 0.11960154E+00
  Rel. diff. in Fisq : 0.20541774E-07
  Fisq quality       : optimal
  Numerical Ti       : 0.20390154E+00
  Rel. diff. in Ti   : 0.31782498E-03
  Ti quality         : good
 Jastrow factor : done
 ------------------------------------
 Iteration           : 19
 Stepsize            : 0.75047497E-05
 mahan_ex :
  Numerical Fisq     : 0.11960154E+00
  Rel. diff. in Fisq : 0.21118305E-08
  Fisq quality       : optimal
  Numerical Ti       : 0.20425070E+00
  Rel. diff. in Ti   : 0.20307888E-02
  Ti quality         : good
 Jastrow factor : done
 ------------------------------------
 Iteration           : 20
 Stepsize            : 0.44278023E-05
 mahan_ex :
  Numerical Fisq     : 0.11960154E+00
  Rel. diff. in Fisq : 0.87049434E-09
  Fisq quality       : optimal
  Numerical Ti       : 0.20657858E+00
  Rel. diff. in Ti   : 0.13451096E-01
  Ti quality         : good
 Jastrow factor : done
 ====================================

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

 Starting VMC.

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

 Acceptance ratio #1 <level 1>        (%)  =  61.9568
 Acceptance ratio #2 <level 1>        (%)  =  69.2167
 Acceptance ratio #1 <levels 1-2>     (%)  =  49.9763
 Acceptance ratio #2 <levels 1-2>     (%)  =  49.9500
 Diffusion constant #1           (Bohr^2)  = 8.1447E-04
 Diffusion constant #2           (Bohr^2)  = 3.1760E-03
 Correlation time                 (steps)  = -1.0000E+00 +- -1.0000E+00
 Efficiency                  (au^-2 s^-1)  = Infinity
 No. of VMC steps per process              = 1

  Block average energies (au per particle)

  Total energy                       (au) =          -0.211957997779

  Kinetic energy KEI (used in Total) (au) =           0.586021379569

  Kinetic energy TI                  (au) =           0.599059420813

  Kinetic energy FISQ                (au) =           0.612097462057

  Potential energy                   (au) =          -0.797979377347

  Ewald e-e interaction              (au) =          -0.797979377347

  Particles affected per move       (%) :  81.2719


 Time taken in block    : : :        3.0475

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

 Restarted calculation. Include data from previous runs.

  VMC energy (au)    Standard error      Correction for serial correlation

 -0.212408863608 +/- 0.000002988829      No correction
 -0.212408863608 +/- 0.000003037821      Correlation time method
  Insufficient data                      On-the-fly reblocking method

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

 ===========================================
 PERFORMING A DMC EQUILIBRATION CALCULATION.
 ===========================================


 BEGIN DMC CALCULATION
 =====================

 Warning : [READCONFIGS_DMC] Too few VMC-generated configs for current target
 weight - the equilibration stage will take longer than usual.

 Random number generator reset to state in config.in.

 EBEST = -0.211957997778820 (au/prim cell inc. N-N)
 EREF  = -0.211957997778820

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

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 55.364
 Number of config transfers               : 1738
 Acceptance ratio (%)                     : 99.783
 New best estimate of DMC energy (au)     : 0.14809125
 Max no of attempts before accept move    : 5
 Particles affected per move         (%)  : 76.4950

 Time taken in block    : : :       62.0266

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

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 88.994
 Number of config transfers               : 3839
 Acceptance ratio (%)                     : 99.859
 New best estimate of DMC energy (au)     : 0.14748151
 Max no of attempts before accept move    : 4
 Particles affected per move         (%)  : 76.5098

 Time taken in block    : : :       83.5193

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

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 91.988
 Number of config transfers               : 4346
 Acceptance ratio (%)                     : 99.869
 New best estimate of DMC energy (au)     : 0.15098448
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5321

 Time taken in block    : : :       86.0559

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

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 88.618
 Number of config transfers               : 4304
 Acceptance ratio (%)                     : 99.826
 New best estimate of DMC energy (au)     : 0.14570978
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5520

 Time taken in block    : : :       88.3386

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

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 89.860
 Number of config transfers               : 3651
 Acceptance ratio (%)                     : 99.816
 New best estimate of DMC energy (au)     : 0.14014960
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5318

 Time taken in block    : : :       83.4423

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

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 93.649
 Number of config transfers               : 4217
 Acceptance ratio (%)                     : 99.853
 New best estimate of DMC energy (au)     : 0.14771278
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5392

 Time taken in block    : : :       84.2582

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

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 89.028
 Number of config transfers               : 4306
 Acceptance ratio (%)                     : 99.891
 New best estimate of DMC energy (au)     : 0.14556158
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5485

 Time taken in block    : : :       87.8717

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

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 85.691
 Number of config transfers               : 4406
 Acceptance ratio (%)                     : 99.851
 New best estimate of DMC energy (au)     : 0.14405733
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5540

 Time taken in block    : : :       88.8445

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

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 89.915
 Number of config transfers               : 3717
 Acceptance ratio (%)                     : 99.850
 New best estimate of DMC energy (au)     : 0.15173836
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5406

 Time taken in block    : : :       83.4723

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

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 93.418
 Number of config transfers               : 4001
 Acceptance ratio (%)                     : 99.859
 New best estimate of DMC energy (au)     : 0.14935871
 Max no of attempts before accept move    : 5
 Particles affected per move         (%)  : 76.5319

 Time taken in block    : : :       83.5194

 =========================================================================
 In block : 11

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 92.645
 Number of config transfers               : 4279
 Acceptance ratio (%)                     : 99.871
 New best estimate of DMC energy (au)     : 0.14822030
 Max no of attempts before accept move    : 4
 Particles affected per move         (%)  : 76.5478

 Time taken in block    : : :       84.6891

 =========================================================================
 In block : 12

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 87.578
 Number of config transfers               : 4423
 Acceptance ratio (%)                     : 99.805
 New best estimate of DMC energy (au)     : 0.14933790
 Max no of attempts before accept move    : 4
 Particles affected per move         (%)  : 76.5526

 Time taken in block    : : :       87.4657

 =========================================================================
 In block : 13

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 90.749
 Number of config transfers               : 3701
 Acceptance ratio (%)                     : 99.868
 New best estimate of DMC energy (au)     : 0.14423645
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5328

 Time taken in block    : : :       83.2563

 =========================================================================
 In block : 14

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 85.843
 Number of config transfers               : 3619
 Acceptance ratio (%)                     : 99.828
 New best estimate of DMC energy (au)     : 0.14811715
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5353

 Time taken in block    : : :       83.9232

 =========================================================================
 In block : 15

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 91.571
 Number of config transfers               : 3781
 Acceptance ratio (%)                     : 99.830
 New best estimate of DMC energy (au)     : 0.15251967
 Max no of attempts before accept move    : 4
 Particles affected per move         (%)  : 76.5460

 Time taken in block    : : :       83.0854

 =========================================================================
 In block : 16

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 88.574
 Number of config transfers               : 3987
 Acceptance ratio (%)                     : 99.828
 New best estimate of DMC energy (au)     : 0.14446791
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5305

 Time taken in block    : : :       84.2083

 =========================================================================
 In block : 17

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 89.768
 Number of config transfers               : 4322
 Acceptance ratio (%)                     : 99.787
 New best estimate of DMC energy (au)     : 0.14250635
 Max no of attempts before accept move    : 4
 Particles affected per move         (%)  : 76.5389

 Time taken in block    : : :       87.8926

 =========================================================================
 In block : 18

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 88.417
 Number of config transfers               : 4040
 Acceptance ratio (%)                     : 99.854
 New best estimate of DMC energy (au)     : 0.14226081
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5395

 Time taken in block    : : :       85.0552

 =========================================================================
 In block : 19

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 87.863
 Number of config transfers               : 3884
 Acceptance ratio (%)                     : 99.819
 New best estimate of DMC energy (au)     : 0.14426068
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5620

 Time taken in block    : : :       86.9268

 =========================================================================
 In block : 20

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 89.641
 Number of config transfers               : 3960
 Acceptance ratio (%)                     : 99.841
 New best estimate of DMC energy (au)     : 0.15063205
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5519

 Time taken in block    : : :       84.7021

 =========================================================================
 In block : 21

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 90.177
 Number of config transfers               : 4182
 Acceptance ratio (%)                     : 99.845
 New best estimate of DMC energy (au)     : 0.14402664
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5515

 Time taken in block    : : :       84.3621

 =========================================================================
 In block : 22

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 86.246
 Number of config transfers               : 3394
 Acceptance ratio (%)                     : 99.833
 New best estimate of DMC energy (au)     : 0.14666933
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5397

 Time taken in block    : : :       82.5166

 =========================================================================
 In block : 23

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 88.124
 Number of config transfers               : 3722
 Acceptance ratio (%)                     : 99.839
 New best estimate of DMC energy (au)     : 0.14609286
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5387

 Time taken in block    : : :       82.7932

 =========================================================================
 In block : 24

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 71.327
 Number of config transfers               : 4225
 Acceptance ratio (%)                     : 99.854
 New best estimate of DMC energy (au)     : 0.14329022
 Max no of attempts before accept move    : 4
 Particles affected per move         (%)  : 76.5503

 Time taken in block    : : :       98.8120

 =========================================================================
 In block : 25

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 90.372
 Number of config transfers               : 3744
 Acceptance ratio (%)                     : 99.833
 New best estimate of DMC energy (au)     : 0.14196361
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5614

 Time taken in block    : : :       82.6804

 =========================================================================
 In block : 26

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 89.154
 Number of config transfers               : 3647
 Acceptance ratio (%)                     : 99.876
 New best estimate of DMC energy (au)     : 0.14312067
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5444

 Time taken in block    : : :       82.3906

 =========================================================================
 In block : 27

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 89.074
 Number of config transfers               : 4094
 Acceptance ratio (%)                     : 99.848
 New best estimate of DMC energy (au)     : 0.14772187
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5346

 Time taken in block    : : :       83.7292

 =========================================================================
 In block : 28

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 94.288
 Number of config transfers               : 4055
 Acceptance ratio (%)                     : 99.836
 New best estimate of DMC energy (au)     : 0.15003804
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5383

 Time taken in block    : : :       82.7874

 =========================================================================
 In block : 29

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 88.327
 Number of config transfers               : 4035
 Acceptance ratio (%)                     : 99.823
 New best estimate of DMC energy (au)     : 0.14797562
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5512

 Time taken in block    : : :       83.5125

 =========================================================================
 In block : 30

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 88.218
 Number of config transfers               : 3551
 Acceptance ratio (%)                     : 99.851
 New best estimate of DMC energy (au)     : 0.14628183
 Max no of attempts before accept move    : 4
 Particles affected per move         (%)  : 76.5530

 Time taken in block    : : :       81.8186

 =========================================================================
 In block : 31

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 91.662
 Number of config transfers               : 3907
 Acceptance ratio (%)                     : 99.853
 New best estimate of DMC energy (au)     : 0.14519338
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5498

 Time taken in block    : : :       81.6736

 =========================================================================
 In block : 32

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 86.012
 Number of config transfers               : 4183
 Acceptance ratio (%)                     : 99.881
 New best estimate of DMC energy (au)     : 0.14879577
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5513

 Time taken in block    : : :       85.2070

 =========================================================================
 In block : 33

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 89.225
 Number of config transfers               : 3753
 Acceptance ratio (%)                     : 99.851
 New best estimate of DMC energy (au)     : 0.14515776
 Max no of attempts before accept move    : 4
 Particles affected per move         (%)  : 76.5306

 Time taken in block    : : :       81.2896

 =========================================================================
 In block : 34

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 90.275
 Number of config transfers               : 3608
 Acceptance ratio (%)                     : 99.821
 New best estimate of DMC energy (au)     : 0.14922170
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5547

 Time taken in block    : : :       80.4648

 =========================================================================
 In block : 35

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 91.686
 Number of config transfers               : 3901
 Acceptance ratio (%)                     : 99.865
 New best estimate of DMC energy (au)     : 0.15202018
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5440

 Time taken in block    : : :       79.8528

 =========================================================================
 In block : 36

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 89.930
 Number of config transfers               : 3559
 Acceptance ratio (%)                     : 99.807
 New best estimate of DMC energy (au)     : 0.15288108
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5392

 Time taken in block    : : :       79.5220

 =========================================================================
 In block : 37

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 82.598
 Number of config transfers               : 4105
 Acceptance ratio (%)                     : 99.899
 New best estimate of DMC energy (au)     : 0.14708483
 Max no of attempts before accept move    : 4
 Particles affected per move         (%)  : 76.5496

 Time taken in block    : : :       83.1914

 =========================================================================
 In block : 38

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 76.945
 Number of config transfers               : 4375
 Acceptance ratio (%)                     : 99.847
 New best estimate of DMC energy (au)     : 0.15118033
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5452

 Time taken in block    : : :       92.1980

 =========================================================================
 In block : 39

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 80.338
 Number of config transfers               : 4205
 Acceptance ratio (%)                     : 99.827
 New best estimate of DMC energy (au)     : 0.14539085
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5282

 Time taken in block    : : :       89.1924

 =========================================================================
 In block : 40

 Number of moves in block                 : 200
 Load-balancing efficiency (%)            : 93.737
 Number of config transfers               : 4170
 Acceptance ratio (%)                     : 99.839
 New best estimate of DMC energy (au)     : 0.14499612
 Max no of attempts before accept move    : 3
 Particles affected per move         (%)  : 76.5366

 Time taken in block    : : :       79.1030


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

 =====================================================
 PERFORMING A DMC STATISTICS-ACCUMULATION CALCULATION.
 =====================================================


 BEGIN DMC CALCULATION
 =====================

 Random number generator reset to state in config.in.

 EBEST = 0.144996121275389 (au/prim cell inc. N-N)
 EREF  = 0.146181996006496

 Number of previous DMC stats accumulation moves : 0

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

 Number of moves in block                 : 500
 Load-balancing efficiency (%)            : 79.815
 Number of config transfers               : 9672
 Acceptance ratio (%)                     : 99.837
 New best estimate of DMC energy (au)     : 0.14748610
 Max no of attempts before accept move    : 5
 New best estimate of effective time step : 0.00997102
 Particles affected per move         (%)  : 76.5449

 Time taken in block    : : :      227.6765

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

 Number of moves in block                 : 500
 Load-balancing efficiency (%)            : 77.086
 Number of config transfers               : 6958
 Acceptance ratio (%)                     : 99.854
 New best estimate of DMC energy (au)     : 0.14826065
 Max no of attempts before accept move    : 4
 New best estimate of effective time step : 0.00997119
 Particles affected per move         (%)  : 76.5359

 Time taken in block    : : :      190.7710

