Antimony Basis-Sets:

Sb_DURAND-21d1G_causa_1991

251 3
DURAND
0 1 2 5.0 0.0
  0.652716  -0.818377  -0.199304
  0.334043   1.044557   0.544199
0 1 1 0.0 0.0
  0.10       1.0        1.0
0 3 1 0.0 0.0
  0.25       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).

Sb_m-pVDZ-PP_Heyd_2005

251 9
INPUT
23. 0 2 4 4 2 0
 16.330865 281.071581 0
 8.556542 61.716604 0
 14.470337 67.457380 0
 13.816194 134.933503 0
 8.424924 14.716344 0
 8.092728 29.518512 0
 14.886331 35.447815 0
 15.146319 53.143466 0
 5.908267 9.179223 0
 5.594322 13.240253 0
 14.444978 -15.366801 0
 14.449295 -20.296138 0
0 0 6 2. 1.
       371.584000         0.159100000E-02
       26.5392000        -0.416840000E-01
       16.6213000         0.273343000
       7.73551000        -0.767685000
       1.89234000         0.899496000
      0.910431000         0.431387000
0 0 6 2. 1.
       371.584000         0.654000000E-03
       26.5392000        -0.109620000E-01
       16.6213000         0.938330000E-01
       7.73551000        -0.304009000
       1.89234000         0.508409000
      0.910431000         0.339239000
0 0 1 0. 1.
      0.244231000          1.00000000
0 0 1 0. 1.
      0.120000000          1.00000000
0 2 5 6. 1.
       16.0509000         0.921570000E-01
       10.2621000        -0.275559000
       2.42832000         0.658640000
       1.03360000         0.466892000
      0.259440000         0.285110000E-01
0 2 5 3. 1.
       16.0509000        -0.253130000E-01
       10.2621000         0.797960000E-01
       2.42832000        -0.242094000
       1.03360000        -0.148605000
      0.259440000         0.548944000
0 2 1 0. 1.
      0.120000000          1.00000000
0 3 5 10. 1.
       45.4785000         0.325900000E-02
       18.5114000        -0.549700000E-02
       3.91600000         0.279953000
       1.71482000         0.512751000
      0.697319000         0.332872000
0 3 1 0. 1.
      0.230400000          1.00000000

For calculations with HF and hybrid functionals,
it is strongly suggested to use:

TOLINTEG
7 7 7 9 30


Heyd, J.; Peralta, J. E.; Scuseria, G. E.; Martin, R. L.
Energy Band Gaps and Lattice Parameters Evaluated with the
Heyd-Scuseria-Ernzerhof Screened Hybrid Functional.
J. Chem. Phys. 2005, 123, 174101

Recently used:

P. Pernot, B. Civalleri, D. Presti, A. Savin
Prediction uncertainty of density functional approximations for
properties of crystals with cubic symmetry
J. Phys. Chem. A 119 (2015) 5288-5304

Sb_POB_DZVP_2018

251 9
INPUT
23. 0 2 4 4 2 0
  16.330865 281.071581 0
   8.556542  61.716604 0
  14.470337  67.457380 0
  13.816194 134.933503 0
   8.424924  14.716344 0
   8.092728  29.518512 0
  14.886331  35.447815 0
  15.146319  53.143466 0
   5.908267   9.179223 0
   5.594322  13.240253 0
  14.444978 -15.366801 0
  14.449295 -20.296138 0
0 0 6 2 1.0
  372.761391660      0.001587805724
  22.6894785960     -0.150276055830
  18.3915470370      0.359158130390
  7.64062714140     -0.748050910650
  1.90520002350      0.920175816560
  0.93007107773      0.467540795970
0 0 2 2 1.0
  10.5844969870     -0.014845336778
  1.46802427690      0.352894920250
0 0 1 0 1.0
  0.18471219000      1.000000000000
0 2 4 6 1.0
  15.9265509500      0.132069500120
  10.0527392370     -0.415111493400
  1.26821837260      0.741979726260
  0.57196620929      0.155807727500
0 2 1 3 1.0
  0.93599266000      1.000000000000
0 2 1 0 1.0
  0.14300702000      1.000000000000
0 3 5 10 1.0
  45.4850633600      0.003255641581
  18.5040596170     -0.005495297201
  3.91560323080      0.279888063530
  1.71421960090      0.512733777610
  0.69675478242      0.332888027360
0 3 1 0 1.0
  0.93586302000      1.000000000000
0 3 1 0 1.0
  0.12000070000      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

Sb_POB_TZVP_2018

251 12
INPUT
23. 0 2 4 4 2 0
  16.330865 281.071581 0
   8.556542  61.716604 0
  14.470337  67.457380 0
  13.816194 134.933503 0
   8.424924  14.716344 0
   8.092728  29.518512 0
  14.886331  35.447815 0
  15.146319  53.143466 0
   5.908267   9.179223 0
   5.594322  13.240253 0
  14.444978 -15.366801 0
  14.449295 -20.296138 0
0 0 4 2 1.0
  1612.41999330      0.000285403808
  238.844520970      0.001339377875
  23.9981188090     -0.049388154574
  15.1931242130      0.433922272540
0 0 2 2 1.0
  11.7364097330      0.921255199650
  6.52597747940      0.792352802260
0 0 1 0 1.0
  1.58348739000      1.000000000000
0 0 1 0 1.0
  0.18345132000      1.000000000000
0 2 3 6 1.0
  215.683933540      0.000260518232
  16.3744790880      0.073728000195
  9.72162833450     -0.272300281280
0 2 3 3 1.0
  2.79826431540      0.464726923740
  1.47110450330      0.503642420750
  0.75165385301      0.187066662940
0 2 1 0 1.0
  0.37211239000      1.000000000000
0 2 1 0 1.0
  0.12000001000      1.000000000000
0 3 6 10 1.0
  115.903122530      0.000531409151
  30.4742337200      0.005941113917
  18.2284182390     -0.010563706947
  4.32914566460      0.203481773410
  2.12948184960      0.427483789280
  0.99682636692      0.385395608090
0 3 1 0 1.0
  0.62366245000      1.000000000000
0 3 1 0 1.0
  0.31224235000      1.000000000000
0 3 1 0 1.0
  0.12000012000      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

Sb_POB_TZVP_rev2

251 12
INPUT
23. 0 2 4 4 2 0
  16.330865 281.071581 0
   8.556542  61.716604 0
  14.470337  67.457380 0
  13.816194 134.933503 0
   8.424924  14.716344 0
   8.092728  29.518512 0
  14.886331  35.447815 0
  15.146319  53.143466 0
   5.908267   9.179223 0
   5.594322  13.240253 0
  14.444978 -15.366801 0
  14.449295 -20.296138 0
0 0 4 2 1.0
  1612.41999330      0.000285403808
  238.844520970      0.001339377875
  23.9981188090     -0.049388154574
  15.1931242130      0.433922272540
0 0 2 2 1.0
  11.7364097330      0.921255199650
  6.52597747940      0.792352802260
0 0 2 0 1.0
  1.83896167000      0.662490890000
  0.78348739000      0.337509120000
0 0 1 0 1.0
  0.18345132000      1.000000000000
0 2 3 6 1.0
  215.683933540      0.000260518232
  16.3744790880      0.073728000195
  9.72162833450     -0.272300281280
0 2 3 3 1.0
  2.79826431540      0.464726923740
  1.47110450330      0.503642420750
  0.75165385301      0.187066662940
0 2 1 0 1.0
  0.37211239000      1.000000000000
0 2 1 0 1.0
  0.12000672000      1.000000000000
0 3 6 10 1.0
  115.903122530      0.000531409151
  30.4742337200      0.005941113917
  18.2284182390     -0.010563706947
  4.32914566460      0.203481773410
  2.12948184960      0.427483789280
  0.99682636692      0.385395608090
0 3 1 0 1.0
  0.56589790000      1.000000000000
0 3 1 0 1.0
  0.31224235000      1.000000000000
0 3 1 0 1.0
  0.12000012000      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

Sb_pob_TZVP_rev2_SOC

251 12
STUTSC
0 0 4 2 1.0
  1612.41999330      0.000285403808
  238.844520970      0.001339377875
  23.9981188090     -0.049388154574
  15.1931242130      0.433922272540
0 0 2 2 1.0
  11.7364097330      0.921255199650
  6.52597747940      0.792352802260
0 0 2 0 1.0
  1.83896167000      0.662490890000
  0.78348739000      0.337509120000
0 0 1 0 1.0
  0.18345132000      1.000000000000
0 2 3 6 1.0
  215.683933540      0.000260518232
  16.3744790880      0.073728000195
  9.72162833450     -0.272300281280
0 2 3 3 1.0
  2.79826431540      0.464726923740
  1.47110450330      0.503642420750
  0.75165385301      0.187066662940
0 2 1 0 1.0
  0.37211239000      1.000000000000
0 2 1 0 1.0
  0.12000672000      1.000000000000
0 3 6 10 1.0
  115.903122530      0.000531409151
  30.4742337200      0.005941113917
  18.2284182390     -0.010563706947
  4.32914566460      0.203481773410
  2.12948184960      0.427483789280
  0.99682636692      0.385395608090
0 3 1 0 1.0
  0.56589790000      1.000000000000
0 3 1 0 1.0
  0.31224235000      1.000000000000
0 3 1 0 1.0
  0.12000012000      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