data: add pob-rev2 basis sets and ECP (#2315)

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# 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