$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$*********************************************************************
$ Potassium atom
$ ncore=18
$ Hay and Wadt, JCP 82, 284 (1985)
$*********************************************************************
A 19
ECP 18 3 0
  5
  1  107.3810865   -18.0000000
  2   19.9413498   -63.7625207
  2    4.2697333   -15.8426437
  2    1.0926291    -5.0502393
  2    0.3594045    -0.8055766
  5
  0   27.1076482     3.0000000
  1   10.9915385    22.9220976
  2    5.1237645    32.8399986
  2    1.7372696    15.5672939
  2    0.4999159     5.2099815
  5
  0    6.6617383     5.0000000
  1    2.1231073    14.0261987
  2    0.8214406     8.4093418
  2    0.4472818    -4.3049715
  2    0.3568265     5.0151840
$*********************************************************************
$ Calcium atom
$ ncore=18
$ Hay and Wadt, JCP 82, 284 (1985)
$*********************************************************************
A 20
ECP 18 3 0
  5
  1  135.0709504   -18.0000000
  2   25.1922367   -72.3806397
  2    5.4940376   -18.5797971
  2    1.4151874    -5.8911769
  2    0.4286428    -0.8339620
  5
  0   29.3419490     3.0000000
  1   14.7433814    19.7879237
  2    7.9251170    44.4890340
  2    2.5306550    22.6988644
  2    0.6334168     7.5593017
  4
  0    8.0909308     5.0000000
  1    3.1248522    14.5671920
  2    1.4462879    11.8395160
  2    0.4385463     3.8072337
$*********************************************************************
$ Scandium atom
$ ncore=18
$ Hay and Wadt, JCP 82, 270 (1985)
$*********************************************************************
A 21
ECP 18 4 0
  5
  1  192.5195835   -18.0000000
  2   36.1035075   -88.5127611
  2    8.2101758   -22.9161516
  2    2.0455730    -8.3516042
  2    0.7105354    -1.3015683
  4
  0    9.6336398     3.0000000
  1    2.5946676    12.8461779
  2    0.5448709    17.2046793
  2    0.4812194   -10.0019149
  5
  0   22.4571432     5.0000000
  1   18.0561916    13.4339672
  2    9.7416660    73.9358072
  2    2.5427651    29.3227672
  2    0.4450257     3.7948832
  3
  2    7.6371109    -1.6459835
  2    1.6990508     0.6046650
  2    0.3542965    -0.3017156
$*********************************************************************
$ Titanium atom
$ ncore=18
$ Hay and Wadt, JCP 82, 270 (1985)
$*********************************************************************
A 22
ECP 18 4 0
  5
  1  217.0090397   -18.0000000
  2   40.7301667   -94.1338170
  2    9.2567439   -24.4645079
  2    2.3249337    -8.8573627
  2    0.7950530    -1.2827508
  4
  0   10.0762958     3.0000000
  1    2.6789265    14.1432597
  2    0.6503944    16.8993983
  2    0.5646085    -8.5136295
  5
  0   18.1336424     5.0000000
  1    8.3111333    15.5558118
  2    8.7336319    29.0702900
  2    2.5966642    29.8642273
  2    0.5206680     4.3716011
  3
  2    7.9748454    -1.6761296
  2    2.2713857     0.6972213
  2    0.3889416    -0.3201236
$*********************************************************************
$ Vanadium atom
$ ncore=18
$ Hay and Wadt, JCP 82, 270 (1985)
$*********************************************************************
A 23
ECP 18 4 0
  5
  1  239.9870839   -18.0000000
  2   45.0835633   -99.0218605
  2   10.2253062   -25.6876997
  2    2.5936435    -9.2754278
  2    0.8734825    -1.2436490
  4
  0   10.6463564     3.0000000
  1    2.7790805    15.5584631
  2    0.7269532    19.1278354
  2    0.6351304    -9.8715206
  5
  0   18.1251385     5.0000000
  1    8.2306080    16.4679760
  2    8.6771989    26.5741922
  2    2.7167571    31.0252324
  2    0.5961611     4.8480079
  2
  2    1.7439119     0.3127658
  2    0.4363769    -0.3566007
$*********************************************************************
$ Chromium atom
$ ncore=18
$ Hay and Wadt, JCP 82, 270 (1985)
$*********************************************************************
A 24
ECP 18 4 0
  5
  1  261.7636243   -18.0000000
  2   49.1963290  -103.3668518
  2   11.1135566   -26.6610566
  2    2.8486023    -9.6086551
  2    0.9433796    -1.1868727
  4
  0   11.5120130     3.0000000
  1    2.9984562    16.9973360
  2    0.8135381    24.3894723
  2    0.7315434   -14.0418751
  5
  0   18.6651904     5.0000000
  1    8.4039778    17.3283897
  2    8.8945784    25.9223919
  2    2.8776940    32.7385948
  2    0.6691169     5.2698153
  2
  2    2.1397301     0.3010003
  2    0.4773511    -0.3719276
$*********************************************************************
$ Manganese atom
$ ncore=18
$ Hay and Wadt, JCP 82, 270 (1985)
$*********************************************************************
A 25
ECP 18 4 0
  5
  1  284.6267218   -18.0000000
  2   53.5171467  -107.7292226
  2   12.0450769   -27.6423345
  2    3.1166539    -9.9330850
  2    1.0160414    -1.1330159
  4
  0   12.7311355     3.0000000
  1    3.2793085    18.6308433
  2    0.9046062    29.9037082
  2    0.8275742   -18.5369130
  5
  0   28.8651113     5.0000000
  1   13.5526575    17.3564739
  2   14.1586483    57.1846489
  2    3.9923448    47.4013059
  2    0.7265806     5.8126748
  2
  2    2.6595345     0.2968466
  2    0.5256942    -0.3897128
$*********************************************************************
$ Iron atom
$ ncore=18
$ Hay and Wadt, JCP 82, 270 (1985)
$*********************************************************************
A 26
ECP 18 4 0
  5
  1  305.9908267    -18.0000000
  2   57.5401809   -111.5658307
  2   12.8787206    -28.4011758
  2    3.3671745    -10.1669409
  2    1.0778632     -1.0631887
  4
  0   16.8558207      3.0000000
  1    4.4141716     17.4313169
  2    0.9390046     29.4117858
  2    0.8294794    -16.8563282
  5
  0   28.7494405      5.0000000
  1   13.5008313     18.1533743
  2   14.0936860     54.0296157
  2    4.1439477     48.7957799
  2    0.7948771      6.2143968
  2
  2    3.4156612      0.2738868
  2    0.5623151     -0.3947896
$*********************************************************************
$ Cobalt atom
$ ncore=18
$ Hay and Wadt, JCP 82, 270 (1985)
$*********************************************************************
A 27
ECP 18 4 0
  5
  1  325.9446323   -18.0000000
  2   61.2895796  -114.9386822
  2   13.6219044   -28.9823031
  2    3.6019089   -10.3160176
  2    1.1293773    -0.9816066
  4
  0   17.6813526     3.0000000
  1    4.6329374    18.3122881
  2    1.0443458    27.0944428
  2    0.8975469   -13.5591147
  5
  0   29.7562169     5.0000000
  1   13.9792163    18.9879649
  2   14.5834185    54.5504938
  2    4.4052039    51.6244450
  2    0.8947474     6.8211010
  2
  2    4.0233194     0.2655202
  2    0.6152352    -0.4143761
$*********************************************************************
$ Nickel atom
$ ncore=18
$ Hay and Wadt, JCP 82, 270 (1985)
$*********************************************************************
A 28
ECP 18 4 0
  5
  1  344.8409988   -18.0000000
  2   64.8228067  -117.9593651
  2   14.2847653   -29.4397021
  2    3.8210097   -10.3862631
  2    1.1697587    -0.8924874
  4
  0   18.6423811     3.0000000
  1    4.8916063    19.2448974
  2    1.1660615    23.9306008
  2    0.9523942    -9.3541445
  5
  0   30.6007023     5.0000000
  1   14.3008055    19.8115548
  2   15.0330432    54.3385586
  2    4.6460085    54.0878232
  2    0.9810619     7.3102740
  2
  2    4.5600829     0.2629228
  2    0.6764731    -0.4386154
$*********************************************************************
$ Copper atom
$ ncore=18
$ Hay and Wadt, JCP 82, 270 (1985)
$*********************************************************************
A 29
ECP 18 4 0
  5
  1  359.2137111   -18.0000000
  2   67.5347369  -119.9259397
  2   14.7222923   -29.5532867
  2    3.9975558   -10.2892433
  2    1.1889410    -0.7836363
  4
  0   19.6202650     3.0000000
  1    5.1604389    20.1579275
  2    1.2306099    34.5001906
  2    1.0850105   -18.9812003
  5
  0   31.9385762     5.0000000
  1   14.9202125    20.6085328
  2   15.6835232    56.0016888
  2    4.9311614    57.2170107
  2    1.0622167     7.7177878
  2
  2    5.1159991     0.2598616
  2    0.7396784    -0.4621680
$*********************************************************************
$ Zinc atom
$ ncore=18
$ Hay and Wadt, JCP 82, 270 (1985)
$*********************************************************************
A 30
ECP 18 4 0
  5
  1  386.7379660   -18.0000000
  2   72.8587359  -124.3527403
  2   15.9066170   -30.6601822
  2    4.3502340   -10.6358989
  2    1.2842199    -0.7683623
  5
  0   19.0867858     3.0000000
  1    5.0231080    22.5234225
  2    1.2701744    48.4465942
  2    1.0671287   -44.5560119
  2    0.9264190    12.9983958
  5
  0   43.4927750     5.0000000
  1   20.8692669    20.7435589
  2   21.7118378    90.3027158
  2    6.3616915    74.6610316
  2    1.2291195     9.8894424
  3
  2   13.5851800    -4.8490359
  2    9.8373050     3.6913379
  2    0.8373113    -0.5037319
$*********************************************************************
