# ECP for rev2 of Consistent Gaussian basis sets for solid-state calculations.
# to be used with corresponding "TZVP-rev2" basis sets in BASIS_pob
#
# Elements                             References
# --------                             ----------
# Rb - I:  Laun, J., Bredow, T., J. Comput. Chem. (2022) 43, 839-846.
#          https://doi.org/10.1002/jcc.26839
# Cs - Po: Laun, J., Bredow, T., J. Comput. Chem. (2021), 42, 1064-1072.
#          https://doi.org/10.1002/jcc.26521 
pob-TZVP-rev2
Rb nelec 28
Rb ul
2  1.000000    0.000000
Rb S
0  5.031683377 89.503949586
0  2.015185434 0.437903605
Rb P
0  4.383544458 19.520470196
0  4.332659280 39.038955357
0  1.374288087 0.170609341
0  1.225772391 0.418499875
Rb D
0  3.415601371 10.482661239
0  3.412863366 15.724060278
0  1.030504898 0.266082838
0  1.019872163 0.408802184
Rb F
0  3.574403408 -4.478284427
0  3.565710590 -5.956907509
Sr nelec 28
Sr ul
2  1.000000    0.000000
Sr S
0  6.933460990 135.271042909
0  4.114003832 17.944071402
Sr P
0  7.216816623 29.438081345
0  7.173696172 58.880674863
0  3.022798817 4.936282692
0  2.865699030 9.723352071
Sr D
0  6.321514600 11.907239187
0  6.391499495 17.859551440
0  1.769726597 2.199180226
0  1.636771665 2.893570866
Sr F
0  4.244198396 -5.509333254
0  4.229164471 -7.304641693
Y nelec 28
Y ul
2     1.000000    0.000000
Y S
0     7.858275  135.134974
0     3.382128   15.411632
Y P
0     6.849791   29.251437
0     6.710092   58.508363
0     3.042159    3.780243
0     2.937330    7.676547
Y D
0     5.416315   11.849911
0     5.333416   17.778103
0     1.976212    2.062383
0     1.961111    3.075654
Y F
0     5.028590   -6.928078
0     5.005582   -9.155099
Zr nelec 28
Zr ul
2     1.000000    0.000000
Zr S
0     8.636528  150.242994
0     3.717639   18.780036
Zr P
0     7.626728   33.192791
0     7.453207   66.389039
0     3.358389    4.620726
0     3.229738    9.260270
Zr D
0     5.938086   13.993383
0     5.825544   20.995882
0     2.205019    2.285166
0     2.206292    3.441260
Zr F
0     4.800215   -5.239320
0     4.798992   -6.987424
Nb nelec 28
Nb ul
2     1.000000    0.000000
Nb S
0     9.376578  165.156736
0     4.043572   21.823951
Nb P
0     8.363609   37.249284
0     8.166898   74.507389
0     3.693075    5.439486
0     3.551047   10.913252
Nb D
0     6.689108   15.214549
0     6.537193   22.833508
0     2.551118    3.000052
0     2.567896    4.553734
Nb F
0     5.568285   -6.281354
0     5.671372   -8.755644
Mo nelec 28
Mo ul
2     1.000000    0.000000
Mo S
0    10.097000  180.076853
0     4.375670   24.715920
Mo P
0     9.126564   41.227678
0     8.863223   82.452670
0     4.044948    6.345092
0     3.866657   12.458423
Mo D
0     7.535754   19.308744
0     7.278976   28.977674
0     2.763205    3.189516
0     2.772085    4.700169
Mo F
0     6.306633   -7.178888
0     6.356448   -9.745978
Ru nelec 28
Ru ul
2     1.000000    0.000000
Ru S
0    11.500590  209.786493
0     5.068575   30.214307
Ru P
0    10.532634   48.751244
0    10.192010   97.496529
0     4.734892    7.860188
0     4.509065   15.329751
Ru D
0     8.877977   26.967506
0     8.766122   40.432303
0     3.170196    3.340758
0     3.228851    5.256352
Ru F
0     7.820249   -8.847525
0     7.839647  -11.835518
Rh nelec 28
Rh ul
2     1.000000    0.000000
Rh S
0    12.194816  225.312054
0     5.405137   32.441582
Rh P
0    11.280755   52.872826
0    10.927248  105.745526
0     5.090117    8.619344
0     4.851832   16.973459
Rh D
0     9.136337   25.108501
0     8.964808   37.695731
0     3.643612    4.202584
0     3.636007    6.292790
Rh F
0     8.616228   -9.673568
0     8.629435  -12.899847
Pd nelec 28
Pd ul
2     1.000000    0.000000
Pd S
0    12.798825  240.262789
0     5.800528   34.729961
Pd P
0    11.874697   56.746929
0    11.474335  113.444417
0     5.515999    9.345639
0     5.248043   18.345447
Pd D
0     8.502212   28.595554
0     7.983324   43.453921
0     3.107628    1.852286
0     2.476734    1.406765
Pd F
0     9.679571  -10.987255
0     9.691349  -14.626190
Ag nelec 28
Ag ul
2     1.000000    0.000000
Ag S
0    12.567714  255.054771
0     6.997662   36.983393
Ag P
0    11.316496   60.715705
0    10.958063  121.443889
0     7.111400   10.171866
0     6.773319   20.486564
Ag D
0     8.928437   29.504938
0    11.102567   44.018736
0     5.543212    5.368333
0     3.928835    7.408375
Ag F
0    11.012913  -12.623403
0    11.019898  -16.764327
Cd nelec 28
Cd ul
2     1.000000    0.000000
Cd S
0    13.355176  270.039448
0     7.308378   38.877766
Cd P
0    12.659728   64.607470
0    12.289639  129.219445
0     6.786176   10.622558
0     6.400743   21.265046
Cd D
0    11.161722   31.663965
0    11.219615   47.489216
0     4.537733    5.186200
0     4.335727    7.566063
Cd F
0    11.478986  -12.632785
0    11.487027  -16.760171
In nelec 28
In ul
2     1.000000    0.000000
In S
0    15.392822  281.122350
0     8.055864   61.901470
In P
0    13.928672   67.462154
0    13.347234  134.949250
0     7.614132   14.746140
0     7.318365   29.639262
In D
0    14.034715   35.493254
0    14.511616   53.178773
0     5.550550    9.177281
0     5.059415   12.392410
In F
0    12.539056  -13.728078
0    12.552561  -18.206866
Sn nelec 28
Sn ul
2     1.000000    0.000000
Sn S
0    17.420414  279.988682
0     7.631155   62.377810
Sn P
0    16.131024   66.162523
0    15.628077  132.174396
0     7.325608   16.339417
0     6.942519   32.488959
Sn D
0    15.514976   36.387441
0    15.188160   54.507841
0     5.456024    8.696823
0     5.363105   12.840208
Sn F
0    12.282348  -12.576333
0    12.272150  -16.595944
Sb nelec 28
Sb ul
2     1.000000    0.000000
Sb S
0    16.330865  281.071581
0     8.556542   61.716604
Sb P
0    14.470337   67.457380
0    13.816194  134.933503
0     8.424924   14.716344
0     8.092728   29.518512
Sb D
0    14.886331   35.447815
0    15.146319   53.143466
0     5.908267    9.179223
0     5.594322   13.240253
Sb F
0    14.444978  -15.366801
0    14.449295  -20.296138
Te nelec 28
Te ul
2     1.000000    0.000000
Te S
0    16.814473  281.045843
0     8.793526   61.620656
Te P
0    14.877801   67.449464
0    14.269731  134.904304
0     8.724435   14.689547
0     8.291515   29.415063
Te D
0    15.205008   35.432057
0    15.225848   53.135687
0     6.071769    9.069802
0     5.804760   13.122304
Te F
0    15.206168  -15.745450
0    15.201702  -20.742448
I nelec 28
I ul
2     1.000000    0.000000
I S
0    40.033376   49.989649
0    17.300576  281.006556
0     8.851720   61.416739
I P
0    15.720141   67.416239
0    15.208222  134.807696
0     8.294186   14.566548
0     7.753949   28.968422
I D
0    13.817751   35.538756
0    13.587805   53.339759
0     6.947630    9.716466
0     6.960099   14.977500
I F
0    18.522950  -20.176618
0    18.251035  -26.088077
0     7.557901   -0.220434
0     7.597404   -0.221646
Cs nelec 46
Cs ul
2  1.000000    0.000000
Cs S
0  4.081119213 84.547722330
0  2.421522383 16.654034970
Cs P
0  5.533972644 52.349630743
0  5.506794384 104.699413178
0  2.280961580 8.806557725
0  2.103490505 17.616611106
Cs D
0  1.813149410 5.268985513
0  1.807721684 7.903641922
0  0.872904031 1.336431281
0  0.858720279 2.005651328
Cs F
0  5.217083860 -16.497654298
0  5.148196479 -23.308131339
0  1.580599469 -2.236827346
0  1.347895923 -2.226941952
Cs G
0  1.807739822 -2.504198722
0  1.805061309 -3.138244524
Ba nelec 46
Ba ul
2  1.000000    0.000000
Ba S
0  4.177931587 84.785457583
0  2.522632800 17.372709041
Ba P
0  6.294119351 52.512225743
0  6.476457746 105.022668647
0  2.284326647 8.707014937
0  2.091555201 17.165458832
Ba D
0  1.925291745 5.346535679
0  1.878534118 8.025720742
0  0.907088727 1.346295081
0  0.910060953 2.063710453
Ba F
0  6.256321669 -20.003223472
0  6.134135837 -26.118214748
0  1.641382784 -2.344457989
0  1.599343316 -2.980867480
Ba G
0  2.142381001 -3.316602759
0  2.159981109 -4.275647018
Hf nelec 60
Hf ul
2     1.000000    0.000000
Hf S
0    10.248856  478.237404
2    10.729127    0.388024
0     1.964856   -1.071232
Hf P
0     8.683462  101.046818
0     7.916920  212.197761
2     9.379243    0.132646
2     8.244209    0.453108
0     1.596686   -0.407914
0     1.710281   -0.561817
Hf D
0     5.189557   43.115467
0     5.253229   65.934732
2     5.937871    0.025912
2     5.712906    0.033741
0     1.014856   -0.280579
0     0.473712   -0.084849
Hf F
0     1.912608    4.811801
0     1.880740    6.418574
Hf G
0     2.724180   -4.636585
0     2.708953   -5.767288
Ta nelec 60
Ta ul
2     1.000000    0.000000
Ta S
0    10.318069  454.600649
2    10.540267    2.837975
0     2.574726   -0.814736
Ta P
0     8.743342   96.910783
0     7.916223  195.850432
2     9.275736    4.812524
2     8.101675    6.338512
0     2.077127   -0.459173
0     2.750372   -0.644586
Ta D
0     5.447314   45.969976
0     5.212545   69.638972
2     5.884358    0.802933
2     5.649579    0.429595
0     1.388180   -0.307227
0     1.294398   -0.461560
Ta F
0     2.161275    5.757773
0     2.125939    7.678167
Ta G
0     3.145920   -5.684066
0     3.127942   -7.062313
W nelec 60
W ul
2     1.000000    0.000000
W S
0    11.063795  419.227599
0     8.217641   41.191307
W P
0     9.338188  107.348110
0     8.430448  214.699568
2     9.490020    0.025442
2     9.489947    0.051895
0     1.882997   -0.117184
0     1.906972    0.296689
W D
0     6.205433   58.881279
0     6.122157   98.683556
2     6.274556    0.019537
2     6.226375    0.021956
0     1.963875   -0.088577
0     1.888287   -0.209726
W F
0     2.307953    6.232472
0     2.270609    8.311345
W G
0     3.583491   -6.802944
0     3.562515   -8.443232
Re nelec 60
Re ul
2     1.000000    0.000000
Re S
0    12.163814  421.970300
0     7.107595   50.134439
Re P
0     9.684597   88.481910
0     9.476214  176.787220
0     7.668066   10.434338
0     5.055156   20.458743
Re D
0     6.509888   43.162431
0     6.091216   64.767759
0     4.164006    5.340301
0     4.407379    8.243332
Re F
0     2.562658    7.244543
0     2.521549    9.659266
Re G
0     4.034599   -7.974940
0     4.009628   -9.882736
Os nelec 60
Os ul
2     1.000000    0.000000
Os S
0    13.002001  424.390376
0     6.962763   57.122503
Os P
0    10.498941   88.279003
0     9.992523  176.486064
0     6.588248   11.715012
0     5.037167   22.915006
Os D
0     7.083441   44.777708
0     6.721179   67.153648
0     3.794626    5.550387
0     3.748125    8.220104
Os F
0     2.826276    8.328332
0     2.781198   11.103102
Os G
0     4.496981   -9.181343
0     4.467738  -11.361604
Ir nelec 60
Ir ul
2     1.000000    0.000000
Ir S
0    13.831474  426.958149
0     7.047914   65.338813
Ir P
0    11.106433   88.075442
0    10.456552  176.124770
0     6.379614   12.682260
0     5.064726   24.635949
Ir D
0     7.548754   46.433258
0     7.265308   69.638074
0     3.800969    6.150248
0     3.718280    9.463560
Ir F
0     3.098706    9.483610
0     3.049461   12.642742
Ir G
0     4.969790  -10.410697
0     4.935614  -12.863196
Pt nelec 60
Pt ul
2     1.000000    0.000000
Pt S
0    14.604500  429.646087
0     7.218287   73.156884
Pt P
0    11.577162   88.022917
0    10.883843  175.998196
0     6.424403   13.682274
0     5.224198   27.414651
Pt D
0     7.699610   43.557852
0     7.550808   65.369108
0     3.961164    7.018596
0     3.872777   11.391733
Pt F
0     3.379869   10.710220
0     3.326255   14.278125
Pt G
0     5.452020  -11.651749
0     5.412585  -14.375525
Au nelec 60
Au ul
2     1.000000    0.000000
Au S
0    13.523218  426.641867
0     6.264384   36.800668
Au P
0    11.413867   87.002091
0    10.329215  174.004370
0     5.707424    8.870610
0     4.828165   17.902438
Au D
0     7.430963   49.883655
0     8.321990   74.684549
0     4.609642    6.486227
0     3.511507    9.546821
Au F
0     3.084639    8.791640
0     3.024743   11.658456
Au G
0     3.978442   -5.234337
0     4.011491   -6.738142
Hg nelec 60
Hg ul
2     1.000000    0.000000
Hg S
0    12.413071  275.774797
0     6.897913   49.267898
Hg P
0    11.310320   80.506984
0    10.210773  161.034824
0     5.939804    9.083416
0     5.019755   18.367773
Hg D
0     8.407895   51.137256
0     8.214086   76.707459
0     4.012612    6.561821
0     3.795398    9.818070
Hg F
0     3.273106    9.429001
0     3.208321   12.494856
Hg G
0     4.485296   -6.338414
0     4.513200   -8.099863
Tl nelec 60
Tl ul
2     1.000000    0.000000
Tl S
0    12.167805  281.284663
0     8.294909   62.434251
Tl P
0     7.151492    4.633408
0     5.172865    9.341756
0     9.891072   72.299253
0     9.003391  144.558037
Tl D
0     7.130218   35.943039
0     6.926906   53.909593
0     5.417570   10.381939
0     5.138681   15.583822
Tl F
0     5.626399   15.825488
0     5.548952   21.104021
0     2.874946    2.915127
0     2.821451    3.896903
Tl G
0     6.679057   -7.494534
0     6.706835   -9.540575
0     7.209284   -7.797992
0     7.070964   -9.259524
Pb nelec 60
Pb ul
2     1.000000    0.000000
Pb S
0    12.296303  281.285499
0     8.632634   62.520217
Pb P
0    10.241790   72.276897
0     8.924176  144.591083
0     6.581342    4.758693
0     6.255403    9.940621
Pb D
0     7.754336   35.848507
0     7.720281   53.724342
0     4.970264   10.115256
0     4.563789   14.833731
Pb F
0     3.887512   12.209892
0     3.811963   16.190291
Pb G
0     5.691577   -9.096665
0     5.715567  -11.531996
Bi nelec 60
Bi ul
2     1.000000    0.000000
Bi S
0    13.043090  283.264227
0     8.221682   62.471959
Bi P
0    10.467777   72.001499
0     9.118901  144.002277
0     6.754791    5.007945
0     6.252592    9.991550
Bi D
0     8.081474   36.396259
0     7.890595   54.597664
0     4.955556    9.984294
0     4.704559   14.981485
Bi F
0     4.214546   13.713383
0     4.133400   18.194308
Bi G
0     6.205709  -10.247443
0     6.227782  -12.955710
Po nelec 60
Po ul
2     1.000000    0.000000
Po S
0    13.277227  283.244706
0     8.399518   62.396461
Po P
0    10.665682   71.991716
0     9.283753  143.971871
0     6.872749    4.949615
0     6.326150    9.740499
Po D
0     8.214866   36.378383
0     8.008696   54.562715
0     5.055227    9.889499
0     4.782553   14.693877
Po F
0     5.013270   17.428295
0     4.984640   23.380353
0     1.326760    0.163392
0     1.528758    0.324566
Po G
0     6.771526  -11.563294
0     6.777925  -14.509788
END
