RUBIDIUM BASIS SETS FOR THE CRYSTAL PROGRAM
===========================================

TCM CRYSTAL basis set library: https://vallico.net/mike_towler/crystal.html

Title:    Rb+ all electron basis
Author:   C. Zicovich Wilson
When:     1995
Use:      RbCl
Comment:  Make sure you reoptimize this in real calculations (MDT)
Refs:     unpublished
Results:
           Total Energy       Kinetic Energy        Virial Coeff.
--------------------------------------------------------------------
Rb        -2938.2991 a.u.      2939.9065 a.u.      -1.9994533
         (-2938.3470 a.u.)    (2938.2533 a.u.)    (-2.0000319) - Roetti/Clementi

Rb+       -2938.1608 a.u.      2939.8000 a.u.      -1.9994424
	 (-2938.2072 a.u.)    (2938.1457 a.u.)    (-2.0000209) - Roetti Clementi
--------------------------------------------------------------------
First Ionization Energy =  138.3 mHartree (exp. 153.5)

Calculated properties for RbCl (a = lattice constant; B = bulk modulus) 
compared with Durand-Barthelet pseudopotential HF calculations and with 
experiment.
           All-electron          Pseudopotential         Experiment
---------------------------------------------------------------------------
a(Ang)         6.94                   7.00                     6.56
B(GPa)        14.3                   13.0                     18.7
---------------------------------------------------------------------------

37 9
0 0 9 2.0 1.0
 2953550.000000       0.000034
  420969.000000       0.000298
   81358.700000       0.002060
   18877.300000       0.011200
    5164.480000       0.047800
    1622.390000       0.157300
     573.192000       0.352400
     221.489000       0.423500
      89.080900       0.151900
0 1 7 8.0 1.0
    6647.380000      -0.000333       0.000875
    1508.870000      -0.006260       0.008570
     435.794000      -0.059000       0.055900
     146.168000      -0.146600       0.220000
      56.172200       0.242500       0.447900
      23.626100       0.708000       0.395500
       9.797900       0.222700       0.089900
0 1 6 8.0 1.0
     180.092000       0.001090      -0.010500
      53.295200      -0.030400      -0.074900
      19.313200      -0.350600       0.076900
       7.943500       0.289600       1.003900
       3.171400       1.054700       1.227300
       1.070600       0.151700       0.196700
0 3 5 10.0 1.0
     288.005000       0.004180
      83.137700       0.036080
      29.003600       0.163320
      10.918500       0.393700
       4.116200       0.473820
0 3 1 0.0 1.0
       1.472200       1.0     
0 1 3 8.0 1.0
       3.381600      -0.664900      -0.194000
       1.421100      -0.580600       0.592600
       0.566900       2.913700       2.705300
0 1 1 0.0 1.0
       0.208300       1.0            1.0
0 1 1 1.0 1.0
       0.043700       1.0            1.0
0 1 1 0.0 1.0
       0.019100       1.0            1.0