RHODIUM BASIS SETS FOR THE CRYSTAL PROGRAM  
==========================================

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

Title:    Rhodium Rh/Rh2+ all-electron 
Author:   M.D. Towler
When:     June 1995
Use:      Never used - optimization in atom only
Comment:  Remove outer diffuse Gaussian(s) and reoptimize valence functions 
          for crystals
Results:
                  TOTAL HF ENERGY   KINETIC ENERGY   VIRIAL THEOREM 
Rh atom (4F)       -4685.7400805     4685.4957248      -2.0000521515
(Roetti/Clementi)  -4685.7892        4685.6963         -2.0000198
difference           +0.0491 Hartree

Rh2+ ion           -4684.996775      4685.009567       -1.9999972696

Notes:
======
(1) Atomic energies refer to 5s2,4d7 configuration
(2) Rh2+ basis is same as atom with last three free Gaussian functions removed
(3) In semi-ionic situations it is possibly better to remove only the
    last two Gaussians from the atomic basis, leaving the shell with
    exponent 0.1541.

Rh atom
=======
THIS BASIS SET HAS BEEN DEVELOPED FOR THE FREE ATOM CASE AND SHOULD BE
CONSIDERED A *STARTING POINT* FOR SOLID-STATE CALCULATIONS. REMOVE
ANY DIFFUSE FUNCTIONS (EXPONENTS LESS THAN AROUND 0.1) AND REOPTIMIZE THE
REMAINING EXPONENTS/CONTRACTION COEFFICIENTS OF THE VALENCE FUNCTIONS IN
THE SITUATION OF INTEREST USING e.g. BILLY or LOPTCG. PLEASE SUMMARIZE
RESULTS TO mdt26 at phy.cam.ac.uk
45 11
0 0 9 2.0 1.0
 3327036.5       0.0000487
  504400.25      0.000374
  109039.976562  0.002220
   27491.214844  0.011200
    7823.687988  0.046800
    2479.120117  0.156100
     875.450256  0.352400
     343.963135  0.425700
     142.453964  0.175600
0 1 7 8.0 1.0
    9588.229492 -0.000358  0.001020
    2212.899902 -0.006610  0.009440
     672.000793 -0.056100  0.056500
     235.268478 -0.147500  0.218200
      92.873566  0.171800  0.455700
      41.434509  0.646300  0.418100
      19.567730  0.354900  0.149800
0 1 6 8.0 1.0
     209.053040  0.005860 -0.014800
      78.476738 -0.036900 -0.073800
      33.130280 -0.333100  0.057800
      14.386816  0.071100  0.932000
       6.634101  0.949000  1.277800
       3.126474  0.380700  0.409800
0 3 6 10.0 1.0
     309.616     0.0102 
      92.147     0.073 
      34.2798    0.2521 
      13.9996    0.4467 
       5.9303    0.3753 
       2.4421    0.0888 
0 1 3 8.0 1.0
       5.1562   -3.9585   -0.0824 
       2.4297    1.3872    0.5389 
       1.0561    9.3325    0.9554 
0 1 1 0.0 1.0
       0.4449    1.0       1.0 
0 3 3 7.0 1.0
       3.7762    0.165 
       1.4392    0.4744 
       0.5509    0.4719 
0 3 1 0.0 1.0
       0.2107    1.0 
0 1 1 2.0 1.0
       0.1541    1.0       1.0 
0 1 1 0.0 1.0
       0.0627    1.0       1.0 
0 1 1 0.0 1.0
       0.0274    1.0       1.0