TIN BASIS SETS FOR THE CRYSTAL PROGRAM
======================================

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

Title:  tin [DURAND]
Author: M. Causa
When:   1991
Use:    Sn
Comment:bulk modulus 56 GPa (expt. 53), a0 6.49 (expt. 6.49)
Ref:    Phys. Rev. B, 43, 11937 (1991)

250 3
[DURAND] 
0 1 2 2.0 1.0
 0.664045  -0.531536  -0.094875
 0.236154   0.858798   0.474750
0 1 1 0.0 1.0
 0.08       1.0        1.0
0 3 1 0.0 1.0
0.20       1.0


Title:   Tin
Author:  M.D. Towler
When:    July 1995
Use:     Sn
Comment: Bulk modulus 54 GPa (expt 53), a0 6.67 (expt. 6.49 : +2.8%) 
Refs:    Unpublished

Sn atom
=======
50 11
0 0 9 2.0 1.0458
 3806666.0     0.0000486
  563891.0     0.000387
  122419.0     0.00226
   31093.6     0.0112
    8965.23    0.0463
    2854.46    0.1549
    1010.09    0.3509
     400.714   0.4274
     167.996   0.1915
0 1 7 8.0 1.0525
   10902.6    -0.000294 0.00105
    2533.25   -0.00619  0.00956
     776.793  -0.0529   0.0566
     275.142  -0.1471   0.217
     110.753   0.1297   0.4521
      51.0837  0.6009   0.4376
      24.547   0.4365   0.1928
0 1 6 8.0 1.0627
     237.278   0.00651 -0.0141
      92.5742 -0.0316  -0.0688
      38.7016 -0.3216   0.0254
      17.4351 -0.00044  0.8574
       8.1474  0.9163   1.2949
       3.8907  0.4327   0.4281
0 3 6 10.0 1.0
     353.314   0.0133
     105.158   0.0929
      39.3208  0.2993
      16.2335  0.4698
       7.0573  0.3195
       2.8399  0.0524
0 1 3 8.0 1.0
       7.1527 -4.6228  -0.0721
       3.4236  1.5501   0.5727
       1.5342 10.7304   0.9749
0 1 1 4.0 1.0
       0.6743  1.0      1.0
0 3 3 10.0 1.0
       5.4496  0.2114
       2.1373  0.5395
       0.8455  0.4545
0 3 1 0.0 1.0
       0.3154  1.0
0 1 1 0.0 1.0
       0.2873  1.0      1.0
0 1 1 0.0 1.0
       0.1138  1.0      1.0    <--- reoptimizes to 0.1053 in bulk Sn
0 1 1 0.0 1.0
       0.0445  1.0      1.0    <--- delete this diffuse function in the solid