Lead Basis-Sets:


Pb_DURAND-31G*_nizam_1988

282 2
DURAND
0 1 3 4.0 1.0
 2.21543  0.16604  0.035015
 1.07263 -0.56943 -0.086718
 0.20836  0.87371  0.43138
0 1 1 0.0 1.0 
 0.08599  1.0      1.0

M. Nizam, Y. Bouteiller, B. Silvi, C. Pisani, M. Causa'  and R. Dovesi,
"A theoretical investigation of electronic structure and some thermodynamical properties of  PbF2",
J. Phys. C: Solid State Phys. 21, 5351 (1988).


Pb_HAYWLC-211(1d)G_piskunov_2004

282 4
HAYWLC
0 1 2 4. 1.
  1.335104   -0.1448789   -0.1070612
  0.7516086  1.0          1.0
0 1 1 0. 1.
  0.5536686  1.0          1.0
0 1 1 0. 1.
  0.1420315  1.0          1.0
0 3 1 0. 1.
  0.1933887  1.0

S. Piskunov, E. Heifets, R.I. Eglitis, G. Borstel,
"Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study",
Comp. Mat. Science 29, 165-178 (2004)


Pb_ECP60MDF_doll_2011

282 10
INPUT
22. 0 2 4 4 2 0
12.296303 281.285499 0
 8.632634 62.520217 0
 10.241790 72.276897 0
 8.924176 144.591083 0
 6.581342 4.758693 0
 6.255403 9.940621 0
 7.754336 35.848507 0
 7.720281 53.724342 0
 4.970264 10.115256 0
 4.563789 14.833731 0
 3.887512 12.209892 0
 3.811963 16.190291 0
0 0 8 2. 1
 570.503390 0.000311
 38.320736 0.017429
 28.178721 -0.002239
 20.873127 -0.284421
 15.364793 0.598047
 6.355062 -0.973219
 1.717877 0.914096
 0.865573 0.483431
0 0 8 2. 1
 570.503390 -0.000134
 38.320736 -0.016619
 28.178721 0.047065
 20.873127 0.030029
 15.364793 -0.184019
 6.355062 0.414229
 1.717877 -0.567254
 0.865573 -0.386722
0 1 1 0. 1
 0.37 1.0 1.0
0 1 1 0. 1
 0.17 1.0 1.0
0 2 8 6. 1
 207.765387 0.000085
 27.782277 0.012232
 20.389950 -0.074032
 15.103619 0.148020
 6.719426 -0.357073
 2.241566 0.424306
 1.293078 0.484544
 0.725623 0.249634
0 2 8 2. 1
 207.765387 -0.000038
 27.782277 -0.001336
 20.389950 0.013469
 15.103619 -0.034499
 6.719426 0.103362
 2.241566 -0.156889
 1.293078 -0.162116
 0.725623 -0.119988
0 3 6 10. 1
 142.026523 0.000065
 42.053989 0.000450
 10.345556 0.035334
 7.663305 -0.090005
 2.183094 0.322991
 1.061022 0.465670
0 3 1 0. 1
 0.486787 1.0
0 3 1 0. 1
 0.201584 1.0
0 4 1 0. 1
 0.3 1.0


Comments:
good for Pb2+
used in 
D. Zagorac, K. Doll, J. C. Schoen, and M. Jansen
Ab initio structure prediction for lead sulfide at standard and elevated
pressures
Phys. Rev. B 84, 045206 (2011)

based on the pseudopotential ECP60MDF and basis set from:
B. Metz, H. Stoll, M. Dolg, J. Chem. Phys. 113, 2563 (2000)


Pb_ECP60MDF-6111(51d)G_baranek_2013_PbTiO3

282 6
INPUT
22. 0 2 4 4 2 0
 12.296303 281.285499 0
 8.632634 62.520217 0
 10.241790 72.276897 0
 8.924176 144.591083 0
 6.581342 4.758693 0
 6.255403 9.940621 0
 7.754336 35.848507 0
 7.720281 53.724342 0
 4.970264 10.115256 0
 4.563789 14.833731 0
 3.887512 12.209892 0
 3.811963 16.190291 0
0 1 6 8. 1.
 8.55351735988 3.88475299531 3.13503035185
 7.35277444701 -5.11944720447 -4.65435922478
 2.95283552202 0.359342355194 1.34852524939
 1.43101525276 2.0148141461 3.23612718594
 0.659101026799 0.477751455641 1.35196984634
 0.220157140772 -0.029791382408 0.0649906557872
0 3 5 10. 1
 11.1394028684 0.299749731795
 7.57317950313 -0.908307739883
 2.21243848295 3.44990840575
 1.0927431021 5.08865830004
 0.517878712738 3.46485836421
0 1 1 4. 1.
 1.37 1. 1.
0 1 1 2. 1.
 0.521 1. 1.
0 1 1 0. 1.
 0.17 1. 1.
0 3 1 0. 1.
 0.238 1.

Developed for PbTiO3

G. Sophia, P. Baranek, C. Sarrazin, M. Rerat, R. Dovesi
"First-principles study of the mechanisms of the pressure-induced
dielectric anomalies in ferroelectric perovskites"
Phase Transitions: A Multinational Journal, 2013 81 1069-1084


Pb_ECP60MDF-6111(51d)G_baranek_2013_PbZrO3

282 6
INPUT
22. 0 2 4 4 2 0
 12.296303 281.285499 0
 8.632634 62.520217 0
 10.241790 72.276897 0
 8.924176 144.591083 0
 6.581342 4.758693 0
 6.255403 9.940621 0
 7.754336 35.848507 0
 7.720281 53.724342 0
 4.970264 10.115256 0
 4.563789 14.833731 0
 3.887512 12.209892 0
 3.811963 16.190291 0
0 1 6 8. 1.
 8.55351735988 3.88475299531 3.13503035185
 7.35277444701 -5.11944720447 -4.65435922478
 2.95283552202 0.359342355194 1.34852524939
 1.43101525276 2.0148141461 3.23612718594
 0.659101026799 0.477751455641 1.35196984634
 0.220157140772 -0.029791382408 0.0649906557872
0 3 5 10. 1
 11.1394028684 0.299749731795
 7.57317950313 -0.908307739883
 2.21243848295 3.44990840575
 1.0927431021 5.08865830004
 0.517878712738 3.46485836421
0 1 1 4. 1.
 1.3477254751 1. 1.
0 1 1 0. 1.
 0.468564902512 1. 1.
0 1 1 0. 1.
 0.16295094818 1. 1.
0 3 1 0. 1.
 0.235136505774 1.

Developed for PbZrO3

G. Sophia, P. Baranek, C. Sarrazin, M. Rerat, R. Dovesi
"First-principles study of the mechanisms of the pressure-induced
dielectric anomalies in ferroelectric perovskites"
Phase Transitions: A Multinational Journal, 2013 81 1069-1084


Pb_pob_TZVP_rev2

282 12
INPUT
22. 0 2 4 4 2 2
 12.296303 281.285499 0
  8.632634  62.520217 0
 10.241790  72.276897 0
  8.924176 144.591083 0
  6.581342   4.758693 0
  6.255403   9.940621 0
  7.754336  35.848507 0
  7.720281  53.724342 0
  4.970264  10.115256 0
  4.563789  14.833731 0
  3.887512  12.209892 0
  3.811963  16.190291 0
  5.691577  -9.096665 0
  5.715567 -11.531996 0
0 0 4 2 1.0
  591.611243700       0.000221265211
  46.7572325590       0.005696195913
  20.7464626960      -0.213740638310
  14.6107964190       0.405026206160
0 0 2 2 1.0
  20.2226376120      -0.083541883299
  6.47673248650       0.979108923880
0 0 2 0 1.0
  1.79457548000       0.585086349000
  0.96331994000       0.414913651000
0 0 1 0 1.0
  0.18390382000       1.000000000000
0 2 3 6 1.0
  15.1891021180       0.619523035830
  14.6931444150      -0.724984970860
  6.87058900480       0.376800079840
0 2 3 2 1.0
  2.20214261230       0.401962848060
  1.22091251190       0.460581318620
  0.63367559815       0.193676553970
0 2 1 0 1.0
  0.37699185000       1.000000000000
0 2 1 0 1.0
  0.15000232000       1.000000000000
0 3 6 10 1.0
  61.3153696280       0.000338708008
  12.3721958400       0.013788683942
  6.92549449830      -0.075979608103
  2.33195399390       0.281137842980
  1.21087300030       0.444745122690
  0.60090478506       0.353268743510
0 3 1 0 1.0
  1.46521682000       1.000000000000
0 3 1 0 1.0
  0.27112992000       1.000000000000
0 3 1 0 1.0
  0.15026464000       1.000000000000

J. Laun, T. Bredow
"BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization 
quality of the sixth period for solid-state calculations", 
J. Comput. Chem. (2021) https://doi.org/10.1002/jcc.26521