Cadmium Basis-Sets:

Cd_dou_1998

48 9
0 0 9 2.0 1.0
 3806666.0       0.0000487
  569411.9375    0.000383
  123127.648438  0.00225
   31268.371094  0.0112
    8980.700195  0.0465
    2854.445801  0.1554
    1009.196594  0.3515
     399.020874  0.4266
     166.670609  0.1854
0 1 7 8.0 1.0
   11112.272461 -0.000306  0.00103
    2561.287109 -0.00635   0.00954
     781.066467 -0.0543    0.0567
     275.585419 -0.1473    0.2179
     110.071716  0.1462    0.4549
      50.098621  0.6198    0.43
      24.000904  0.4052    0.1757
 0 1 6 8.0 1.0
     240.497849  0.00642  -0.0146
      93.222374 -0.0339   -0.0698
      39.301212 -0.3249    0.0368
      17.460880  0.0259    0.8806
       8.100710  0.9324    1.2846
       3.815374  0.4064    0.4154
0 3 6 10.0 1.0
      331.966    0.0123
       98.8574   0.0861
       36.9351   0.2829
       15.2038   0.4621
        6.5373   0.3394
        2.6577   0.0612
0 1 3 8.0 1.0
        6.2065  -4.4517   -0.073
        2.9451   1.9018    0.5548
        1.2793   9.8763    0.8933
0 1 1 2.0 1.0
        0.5375   1.0       1.0
0 1 1 0.0 1.0
        0.1739   1.0       1.0
0 3 3 10.0 1.0
        4.6812   0.1891
        1.8023   0.4956
        0.6875   0.4544
0 3 1 0.0 1.0
        0.2588   1.0


Y Dou, R.G. Egdell, D.S.L. Law, N.M Harrison, B.G. Searle
``An experimental and theoretical investigation of the electronic structure of CdO'',
J. Phys. Cond. Matter 10, 8447-8458 (1998)

Cd_m-S-RSC_Heyd_2005

248 14
INPUT
20. 0 2 2 2 2 0
 13.835869 270.009483 0
 6.857270 38.767308 0
 12.404971 193.829629 0
 6.567799 31.896525 0
 10.896925 79.193647 0
 4.641165 13.230827 0
 15.184796 -35.476626 0
 7.592398 -5.617677 0
0 0 3 2. 1.
       9.72701100         -1.78642590
       7.83752300          2.57789480
       5.08919400         0.160117100
0 0 1 2. 1.
       1.55332600          1.00000000
0 0 1 0. 1.
      0.714079000          1.00000000
0 0 1 0. 1.
      0.500000000          1.00000000
0 0 1 0. 1.
      0.250000000          1.00000000
0 0 1 0. 1.
      0.120000000          1.00000000
0 2 2 6. 1.
       4.74271600         -6.23119940
       3.93665500          6.57419200
0 2 2 0. 1.
       1.38039100         0.749726500
      0.668485000         0.281108200
0 2 1 0. 1.
      0.363423000          1.00000000
0 2 1 0. 1.
      0.180000000          1.00000000
0 2 1 0. 1.
      0.120000000          1.00000000
0 3 4 10. 1.
       8.46934100        -0.163606000E-01
       3.02423100         0.286472800
       1.31636700         0.486851800
      0.556393000         0.379411100
0 3 1 0. 1.
      0.223856000          1.00000000
0 3 1 0. 1.
      0.120000000          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

Cd_POB_DZVP_2018

248 8
INPUT
20. 0 2 4 4 2 0
  13.355176 270.039448 0
   7.308378  38.877766 0
  12.659728  64.607470 0
  12.289639 129.219445 0
   6.786176  10.622558 0
   6.400743  21.265046 0
  11.161722  31.663965 0
  11.219615  47.489216 0
   4.537733   5.186200 0
   4.335727   7.566063 0
  11.478986 -12.632785 0
  11.487027 -16.760171 0
0 0 3 2 1.0
  9.72701100000     -1.793007531600
  7.83752300000      2.611031897100
  5.08919400000      0.107484289490
0 0 1 2 1.0
  1.29763118000      1.000000000000
0 0 1 0 1.0
  0.25498356000      1.000000000000
0 2 4 6 1.0
  4.74271600000     -1.041192305100
  3.93665500000      1.100368233200
  1.35692431420      0.653666394110
  0.58791569541      0.246323691130
0 2 1 0 1.0
  0.15000001000      1.000000000000
0 3 4 10 1.0
  7.86310408590     -0.021376239365
  3.29350591330      0.225963995680
  1.45036760250      0.452944029720
  0.59373316766      0.392189719580
0 3 1 0 1.0
  0.20914758000      1.000000000000
0 4 1 0 1.0
  1.59813000000      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

Cd_POB_TZVP_2018

248 11
INPUT
20. 0 2 4 4 2 0
  13.355176 270.039448 0
   7.308378  38.877766 0
  12.659728  64.607470 0
  12.289639 129.219445 0
   6.786176  10.622558 0
   6.400743  21.265046 0
  11.161722  31.663965 0
  11.219615  47.489216 0
   4.537733   5.186200 0
   4.335727   7.566063 0
  11.478986 -12.632785 0
  11.487027 -16.760171 0
0 0 2 2 1.0
  20.000000000     -0.174011969270
  16.309051661      0.371372771940
0 0 1 2 1.0
  6.8463938700      1.000000000000
0 0 1 0 1.0
  1.2760130100      1.000000000000
0 0 1 0 1.0
  0.2555898500      1.000000000000
0 2 4 6 1.0
  14.000681404      0.069333062793
  8.3094019872     -0.254201036810
  2.2020058122      0.492009803680
  1.0779246137      0.497021181310
0 2 1 0 1.0
  0.4847503100      1.000000000000
0 2 1 0 1.0
  0.1531046400      1.000000000000
0 3 4 10 1.0
  30.380789793      0.003254512384
  11.474551578     -0.014212074843
  3.0507394903      0.249617564360
  1.3622028524      0.449056351760
0 3 1 0 1.0
  0.5420052100      1.000000000000
0 3 1 0 1.0
  0.1728955300      1.000000000000
0 4 1 0 1.0
  1.5981300000      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

Cd_POB_TZVP_rev2

248 11
INPUT
20. 0 2 4 4 2 0
  13.355176 270.039448 0
   7.308378  38.877766 0
  12.659728  64.607470 0
  12.289639 129.219445 0
   6.786176  10.622558 0
   6.400743  21.265046 0
  11.161722  31.663965 0
  11.219615  47.489216 0
   4.537733   5.186200 0
   4.335727   7.566063 0
  11.478986 -12.632785 0
  11.487027 -16.760171 0
0 0 2 2 1.0
  20.000000000     -0.174011969270
  16.309051661      0.371372771940
0 0 1 2 1.0
  6.8390301300      1.000000000000
0 0 1 0 1.0
  1.2775680000      1.000000000000
0 0 1 0 1.0
  0.1414597900      1.000000000000
0 2 4 6 1.0
  14.000681404      0.069333062793
  8.3094019872     -0.254201036810
  2.2020058122      0.492009803680
  1.0779246137      0.497021181310
0 2 1 0 1.0
  0.4868044300      1.000000000000
0 2 1 0 1.0
  0.1392537500      1.000000000000
0 3 4 10 1.0
  30.380789793      0.003254512384
  11.474551578     -0.014212074843
  3.0507394903      0.249617564360
  1.3622028524      0.449056351760
0 3 1 0 1.0
  0.5382728300      1.000000000000
0 3 1 0 1.0
  0.2030809300      1.000000000000
0 4 1 0 1.0
  0.7676352500      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

Cd_pob_TZVP_rev2_SOC

248 11
STUTSC
0 0 2 2 1.0
  20.000000000     -0.174011969270
  16.309051661      0.371372771940
0 0 1 2 1.0
  6.8390301300      1.000000000000
0 0 1 0 1.0
  1.2775680000      1.000000000000
0 0 1 0 1.0
  0.1414597900      1.000000000000
0 2 4 6 1.0
  14.000681404      0.069333062793
  8.3094019872     -0.254201036810
  2.2020058122      0.492009803680
  1.0779246137      0.497021181310
0 2 1 0 1.0
  0.4868044300      1.000000000000
0 2 1 0 1.0
  0.1392537500      1.000000000000
0 3 4 10 1.0
  30.380789793      0.003254512384
  11.474551578     -0.014212074843
  3.0507394903      0.249617564360
  1.3622028524      0.449056351760
0 3 1 0 1.0
  0.5382728300      1.000000000000
0 3 1 0 1.0
  0.2030809300      1.000000000000
0 4 1 0 1.0
  0.7676352500      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