Tin Basis-Sets:

Sn_DURAND-21G*_causa_1991

250 3
DURAND
0 1 2 4.0 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

  M. Causa', R. Dovesi and C. Roetti, 
``Pseudopotential Hartree-Fock study of seventeen III-V and IV-IV semiconductors'',
  Phys. Rev. B 43, 11937-11943 (1991).

Sn_DURAND-21G_calatayud_1999

250 2
DURAND
0 1 2 4.0 1.0
  0.67428  -0.51718 -0.090973
  0.23445   0.83855  0.46425
0 1 1 0.0 1.0
  0.090     1.        1.

 M. Calatayud, J. Andr\'es, A. Beltran
 A theoretical analysis of adsorption and dissociation of CH3OH on the 
 stoichiometric SnO2(110) surface
 Surface Sci. 430, 213-222 (1999)
 
 
 See also J. Phys. Chem . B, 111, 6479-6485 (2007)

Sn_ECP28MDF-411(51d)G_baranek_2013_SnTiO3

250 5
INPUT
22. 0 2 4 4 2 0
 17.420414 279.988682 0
 7.631155 62.377810 0
 16.131024 66.162523 0
 15.628077 132.174396 0
 7.325608 16.339417 0
 6.942519 32.488959 0
 15.514976 36.387441 0
 15.188160 54.507841 0
 5.456024 8.696823 0
 5.363105 12.840208 0
 12.282348 -12.576333 0
 12.272150 -16.595944 0
0 1 4 8. 1.
 12.0606722098 0.0844070512669 0.0368811742301
 8.03066973225 -0.185102525393 -0.234782434687
 2.45748084227 0.0837343892348 0.621356592737
 1.01390396118 0.619389030077 0.015620738282
0 1 1 4. 1.
 0.980085700016 1. 1.
0 1 1 0. 1.
 0.203647000016 1. 1.
0 3 5 10. 1.
 10.6273770193 -0.0108186550584
 4.91418243094 0.112610228075
 2.48328701349 0.426680918513
 1.15089341028 0.376555012814
 0.698258653292 0.232892476577
0 3 1 0. 1.
 0.320168100003 1.

Developed for SnTiO3

G. Sophia, P. Baranek, C. Sarrazin, M. Rerat, R. Dovesi
"Systematic influence of atomic substitution on the phase diagram of ABO3 ferroelectric perovskites"
(2014)

Sn_POB_DZVP_2018

250 9
INPUT
22. 0 2 4 4 2 0
  17.420414 279.988682 0
   7.631155  62.377810 0
  16.131024  66.162523 0
  15.628077 132.174396 0
   7.325608  16.339417 0
   6.942519  32.488959 0
  15.514976  36.387441 0
  15.188160  54.507841 0
   5.456024   8.696823 0
   5.363105  12.840208 0
  12.282348 -12.576333 0
  12.272150 -16.595944 0
0 0 6 2 1.0
  375.951561770      0.001522488423
  23.6618180080     -0.167760650300
  19.9462813150      0.339890903930
  6.82402704540     -0.844417915290
  1.87714887220      0.926469528460
  0.82033199226      0.530910944900
0 0 2 2 1.0
  10.3415498870     -0.009033111915
  1.36725241550      0.229808777140
0 0 1 0 1.0
  0.29403717000      1.000000000000
0 2 4 6 1.0
  21.2935977480      0.037103218279
  8.81718424990     -0.323517096610
  1.23470283710      0.838467608980
  0.57869142617      0.232949770500
0 2 1 2 1.0
  2.50434786000      1.000000000000
0 2 1 0 1.0
  0.23283552000      1.000000000000
0 3 5 10 1.0
  39.6930231770      0.003918573427
  20.8521792750     -0.006821007367
  3.69078327740      0.279384204950
  1.58494045300      0.526074098740
  0.62772693365      0.361494653480
0 3 1 0 1.0
  0.80500000000      1.000000000000
0 3 1 0 1.0
  0.30500000000      1.000000000000


J. Laun, D. V. Oliveira, T. Bredow J. Comput. Chem. 39 (2018) 1285-1290
" Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations ", DOI: 10.1002/jcc.25195

Sn_POB_TZVP_2018

250 12
INPUT
22. 0 2 4 4 2 0
  17.420414 279.988682 0
   7.631155  62.377810 0
  16.131024  66.162523 0
  15.628077 132.174396 0
   7.325608  16.339417 0
   6.942519  32.488959 0
  15.514976  36.387441 0
  15.188160  54.507841 0
   5.456024   8.696823 0
   5.363105  12.840208 0
  12.282348 -12.576333 0
  12.272150 -16.595944 0
0 0 4 2 1.0
  1577.07159310      0.000170427677
  235.266010780      0.000814670573
  38.2063306450     -0.003905790429
  13.0970317650      0.532459223430
0 0 2 2 1.0
  11.6814927590      1.543528727500
  5.96476043610      0.764215100410
0 0 1 0 1.0
  1.73827374000      1.000000000000
0 0 1 0 1.0
  0.66132269000      1.000000000000
0 2 3 6 1.0
  221.557674960      0.000311251780
  21.0840214330      0.031108097016
  8.76001385210     -0.275715609180
0 2 3 2 1.0
  2.59129097220      0.459123286660
  1.34268011570      0.496828672170
  0.67732735829      0.189623778210
0 2 1 0 1.0
  0.73354714000      1.000000000000
0 2 1 0 1.0
  0.41863762000      1.000000000000
0 3 6 10 1.0
  108.332101540      0.000465618533
  23.7039366300      0.054063163067
  22.3398439060     -0.058928768877
  4.08748340280      0.195885008960
  1.97373541460      0.423017991850
  0.90158257692      0.392527161760
0 3 1 0 1.0
  0.87555729000      1.000000000000
0 3 1 0 1.0
  0.52000000000      1.000000000000
0 3 1 0 1.0
  0.32000000000      1.000000000000


J. Laun, D. V. Oliveira, T. Bredow J. Comput. Chem. 39 (2018) 1285-1290
" Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations ", DOI: 10.1002/jcc.25195

Sn_POB_TZVP_rev2

250 12
INPUT
22. 0 2 4 4 2 0
  17.420414 279.988682 0
   7.631155  62.377810 0
  16.131024  66.162523 0
  15.628077 132.174396 0
   7.325608  16.339417 0
   6.942519  32.488959 0
  15.514976  36.387441 0
  15.188160  54.507841 0
   5.456024   8.696823 0
   5.363105  12.840208 0
  12.282348 -12.576333 0
  12.272150 -16.595944 0
0 0 4 2 1.0
  1577.0715931       0.000170427677
  235.26601078       0.000814670573
  38.206330645      -0.003905790429
  13.097031765       0.532459223430
0 0 2 2 1.0
  11.681492759       1.543528727500
  5.9647604361       0.764215100410
0 0 2 0 1.0
  1.5864660300       0.648270000000
  0.7151408100       0.325330000000
0 0 1 0 1.0
  0.1451275400       1.000000000000
0 2 3 6 1.0
  221.55767496       0.000311251780
  21.084021433       0.031108097016
  8.7600138521      -0.275715609180
0 2 3 2 1.0
  2.5912909722       0.459123286660
  1.3426801157       0.496828672170
  0.6773273582       0.189623778210
0 2 1 0 1.0
  0.4186376200       1.000000000000
0 2 1 0 1.0
  0.1482663100       1.000000000000
0 3 6 10 1.0
  108.33210154       0.000465618533
  23.703936630       0.054063163067
  22.339843906      -0.058928768877
  4.0874834028       0.195885008960
  1.9737354146       0.423017991850
  0.9015825769       0.392527161760
0 3 1 0 1.0
  0.6296582000       1.000000000000
0 3 1 0 1.0
  0.3185426800       1.000000000000
0 3 1 0 1.0
  0.1611010800       1.000000000000


J. Laun, T. Bredow J. Comput. Chem.  (2022), 43:839-846
"BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the fifth period for solid-state calculation", DOI: 10.1002/jcc.26839

Sn_pob_TZVP_rev2_SOC

250 12
STUTSC
0 0 4 2 1.0
  1577.0715931       0.000170427677
  235.26601078       0.000814670573
  38.206330645      -0.003905790429
  13.097031765       0.532459223430
0 0 2 2 1.0
  11.681492759       1.543528727500
  5.9647604361       0.764215100410
0 0 2 0 1.0
  1.5864660300       0.648270000000
  0.7151408100       0.325330000000
0 0 1 0 1.0
  0.1451275400       1.000000000000
0 2 3 6 1.0
  221.55767496       0.000311251780
  21.084021433       0.031108097016
  8.7600138521      -0.275715609180
0 2 3 2 1.0
  2.5912909722       0.459123286660
  1.3426801157       0.496828672170
  0.6773273582       0.189623778210
0 2 1 0 1.0
  0.4186376200       1.000000000000
0 2 1 0 1.0
  0.1482663100       1.000000000000
0 3 6 10 1.0
  108.33210154       0.000465618533
  23.703936630       0.054063163067
  22.339843906      -0.058928768877
  4.0874834028       0.195885008960
  1.9737354146       0.423017991850
  0.9015825769       0.392527161760
0 3 1 0 1.0
  0.6296582000       1.000000000000
0 3 1 0 1.0
  0.3185426800       1.000000000000
0 3 1 0 1.0
  0.1611010800       1.000000000000

J. Laun, T. Bredow J. Comput. Chem.  (2022), 43:839-846
"BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the fifth period for solid-state calculation", DOI: 10.1002/jcc.26839
Desmarais, J. K., Flament, J. P., Erba, A. (2020). Spin-orbit coupling in periodic systems with broken time-reversal symmetry: Formal and computational aspects. Physical Review B, 101(23), 235142.

Note: To be used with CRYSTAL23