SELENIUM BASIS SETS FOR THE CRYSTAL PROGRAM
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TCM CRYSTAL basis set library: https://vallico.net/mike_towler/crystal.html


Title:  Selenium
Author: M.D. Towler, C. Zicovich-Wilson
When:   July 1995
Used:   Never used - optimized in atom only
Comment:  Remove outer diffuse Gaussian and reoptimize valence functions 
          for solid.
Results:
                TOTAL ENERGY       KINETIC ENERGY        VIRIAL COEFFICIENT
Se              -2399.824519        2400.000109          -1.999926837
Roetti/Clementi -2399.8658          2399.8653            -2.0000028
difference          0.041281 Hartree
NB: Atomic energies refer to 3d10 4s2 4p4 configuration (3P)

Se atom   
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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
34 8
0 0 9 2.0 1.0
 2275090.0       0.000038 
  319959.0       0.0003344 
   64974.1       0.0021238 
   15718.0       0.011193 
    4347.15      0.047900 
    1367.7       0.157400 
     483.334     0.352332 
     187.066     0.423303 
      75.1333    0.153645 
0 1 7 8.0 1.0
    5241.62     -0.000373   0.0009764 
    1192.97     -0.0072305  0.0092853 
     354.263    -0.061887   0.056735 
     121.56     -0.145788   0.218068 
      46.765     0.246071   0.447931 
      19.7469    0.712463   0.395229 
       8.44148   0.239375   0.09678 
0 1 6 8.0 1.0
     103.375     0.0039064 -0.014826 
      36.4438   -0.054067  -0.071387 
      15.4097   -0.323251   0.116639 
       6.326     0.264172   0.970063 
       2.62943   0.954686   1.21262 
       1.04921   0.236846   0.328426 
0 3 5 10.0 1.0
     202.635     0.005270 
      59.7021    0.04036 
      21.5166    0.162038 
       8.3345    0.368724 
       3.15228   0.46438 
0 3 1 0.0 1.0
       1.09082   1.0 
0 1 3 6.0 1.0
       2.318094 -0.908900  -0.1759 
       0.945900 -0.595800   0.5555 
       0.409815  3.163300   2.8121 
0 1 1 0.0 1.0
       0.1642    1.0        1.0 
0 1 1 0.0 1.0
       0.0648    1.0        1.0  <-- remove the diffuse function in crystals