XENON BASIS SETS FOR THE CRYSTAL PROGRAM (no, I don't know why either)
========================================

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

Title:    Xe all-electron
Author:   M.D. Towler
When:     Dec 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 
                   -7232.0299336     7231.5063800    -2.000072399
(Roetti/Clementi)  -7232.1302        7232.0470       -2.0000115 
difference             0.1002664 Hartree (not great)

Notes:
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(1) Atomic energies refer to 5s2,4d10,5p6 (1S) configuration

Xe 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
54 11
0 0 9 2.0 1.13768 
 3796580.0      0.0000487 
  555987.0      0.0003934 
  119804.0      0.0022931 
   30861.1      0.01113 
    8935.91     0.04616 
    2853.77     0.153675 
    1014.17     0.349145 
     404.235    0.430543 
     170.404    0.202905 
0 1 7 8.0 1.15818 
   10735.9     -0.000275   0.001075 
    2493.21    -0.0061041  0.0097891 
     767.941   -0.050989   0.057466 
     274.67    -0.146855   0.218886 
     111.819    0.104336   0.459944 
      52.219    0.572975   0.461107 
      25.4397   0.484459   0.223164 
0 1 6 8.0 1.18824 
     231.531    0.0065159 -0.01352 
      91.7816  -0.025451  -0.068249 
      38.1398  -0.316576   0.0045716 
      17.3959  -0.047196   0.837103 
       8.1913   0.897682   1.32771 
       3.92195  0.474729   0.471369 
0 3 6 10.0 1.0
     414.512    0.014096 
     123.928    0.097746 
      46.6214   0.31137 
      19.5093   0.469409 
       8.79497  0.297241 
       3.93506  0.05124 
0 1 3 8.0 1.0
       9.48423 -2.60248   -0.099033 
       5.43822 -0.639355   0.304635 
       2.54876  5.68511    0.701398 
0 1 1 8.0 1.0
       1.29001  1.0        1.0 
0 3 3 10.0 1.0
       7.19406  0.227881 
       2.88277  0.576082 
       1.1781   0.40614 
0 3 1 0.0 1.0
       0.442072 1.0 
0 1 1 0.0 1.0
       0.633874 1.0        1.0 
0 1 1 0.0 1.0
       0.256598 1.0        1.0 
0 1 1 0.0 1.0
       0.096936 1.0        1.0