$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$*********************************************************************
$ Sodium atom
$ ncore=10
$ Hay and Wadt, JCP 82, 284 (1985)
$*********************************************************************
A 11
ECP 10 3 0
  5
  1  175.5502590   -10.0000000
  2   35.0516791   -47.4902024
  2    7.9060270   -17.2283007
  2    2.3365719    -6.0637782
  2    0.7799867    -0.7299393
  5
  0    243.3606      3.000000
  1    41.57648      36.28476
  2    13.26492      72.93049
  2    3.679717      23.84012
  2    0.9764209     6.012386
  6
  0    1257.265      5.000000
  1    189.6249      117.4496
  2    54.52478      423.3987
  2    13.74500      109.3247
  2    3.681358      31.37017
  2    0.9461106     7.124181
$*********************************************************************
$ Magnesium atom
$ ncore=10
$ Hay and Wadt, JCP 82, 284 (1985)
$*********************************************************************
A 12
ECP 10 3 0
  5
  1  237.5485      -10.00000
  2   47.75204     -55.89940
  2   10.78379     -20.13920
  2    3.199212     -7.067911
  2    1.063695     -0.8133109
  5
  0  348.3009        3.000000
  1   59.46801      44.00757
  2   19.07676     107.3861
  2    5.296561     35.82891
  2    1.386737     10.11434
  6
  0 1256.874         5.000000
  1  189.8609      117.1054
  2   54.69496     420.5972
  2   13.89901     107.6123
  2    3.959718     29.10026
  2    1.255279      7.087557
$*********************************************************************
$ Aluminium atom
$ ncore=10
$ Hay and Wadt, JCP 82, 284 (1985)
$*********************************************************************
A 13
ECP 10 3 0
  5
  1  304.7291926   -10.0000000
  2   61.5299768   -63.8079837
  2   13.9259006   -22.8972174
  2    4.1463626    -8.0063232
  2    1.3715443    -0.8829345
  5
  0  467.8437756     3.0000000
  1   79.3992216    50.9705682
  2   25.4035967   143.8716460
  2    6.9954696    48.0055753
  2    1.7860129    14.0114180
  6
  0  776.2717190     5.0000000
  1  118.4992254    93.0595424
  2   34.4107276   266.7686329
  2    8.7859563    70.0725805
  2    2.3406228    17.2290839
  2    0.7398386     0.7105331
$*********************************************************************
$ Silicon atom
$ ncore=10
$ Hay and Wadt, JCP 82, 284 (1985)
$*********************************************************************
A 14
ECP 10 3 0
  5
  1  505.3137693   -10.0000000
  2  103.2221026   -84.9236087
  2   23.4569248   -30.3299410
  2    6.7505693   -12.1049046
  2    2.1603140    -1.8945408
  5
  0  689.4910719     3.0000000
  1  114.1728510    60.5206833
  2   35.7424336   201.3086137
  2    9.4529586    65.9399745
  2    2.2543590    19.0300789
  6
  0   88.9379355     5.0000000
  1   76.7773538     6.6413817
  2   56.1480987   247.5972416
  2   21.1874014   129.3715380
  2    6.8277276    47.4617107
  2    2.1001192    11.7376574
$*********************************************************************
$ Phosphorus atom
$ ncore=10
$ Hay and Wadt, JCP 82, 284 (1985)
$*********************************************************************
A 15
ECP 10 3 0
  5
  1  462.1211423   -10.0000000
  2   93.6863701   -79.4864658
  2   21.2349094   -28.3668251
  2    6.3388415    -9.8577589
  2    2.0620684    -1.0163783
  5
  0   78.0831823     3.0000000
  1   58.9576810    12.9104154
  2   36.0571255   150.0250298
  2   11.2464453    71.7083146
  2    2.6757561    23.0397012
  6
  0   75.1617880     5.0000000
  1   57.4544041     6.3446507
  2   47.9481748   198.5585104
  2   18.4588360   111.1470820
  2    5.9414190    40.3944144
  2    1.8487507     6.4483233
$*********************************************************************
$ Sulfur atom
$ ncore=10
$ Hay and Wadt, JCP 82, 284 (1985)
$*********************************************************************
A 16
ECP 10 3 0
  5
  1  532.6685222   -10.0000000
  2  108.1342248   -85.3593846
  2   24.5697664   -30.4513290
  2    7.3702438   -10.3745886
  2    2.3712569    -0.9899295
  5
  0  106.3176781     3.0000000
  1  100.8245833    10.6284036
  2   53.5858472   223.6360469
  2   15.3706332    93.6460845
  2    3.1778402    28.7609065
  6
  0  101.9709185     5.0000000
  1   93.2808973     6.0969842
  2   65.1431772   285.4425500
  2   24.6347440   147.1448413
  2    7.8120535    53.6569778
  2    2.3112730     8.9249559
$*********************************************************************
$ Chlorine atom
$ ncore=10
$ Hay and Wadt, JCP 82, 284 (1985)
$*********************************************************************
A 17
ECP 10 3 0
  5
  1   94.8130      -10.000000
  2  165.6440       66.272917
  2   30.8317      -28.968595
  2   10.5841      -12.866337
  2    3.7704       -1.710217
  5
  0  128.8391        3.000000
  1  120.3786       12.852851
  2   63.5622      275.672398
  2   18.0695      115.677712
  2    3.8142       35.060609
  6
  0  216.5263        5.000000
  1   46.5723        7.479486
  2  147.4685      613.032000
  2   48.9869      280.800685
  2   13.2096      107.878824
  2    3.1831       15.343956
$*********************************************************************
$ Argon atom
$ ncore=10
$ Hay and Wadt, JCP 82, 284 (1985)
$*********************************************************************
A 18
ECP 10 3 0
  5
  1  711.5242175   -10.0000000
  2  144.6708689   -99.0606669
  2   32.9246992   -35.2711767
  2    9.9103877   -11.8151947
  2    3.1328926    -1.0453382
  5
  0  152.8553033     3.0000000
  1   82.1424792    11.2465621
  2   83.7154800   250.7412812
  2   23.8557161   139.1606543
  2    4.3128823    41.2897981
  6
  0  212.5573747     5.0000000
  1  266.4884712     5.2787358
  2  139.9222477   631.7135166
  2   50.1097659   305.1649809
  2   14.5537276   106.4807615
  2    3.4828623    17.0215765
$*********************************************************************
$ Potassium atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 19
ECP 10 3 0
  5
  1 1067.1081575   -10.0000000
  2  218.4185142  -124.3469306
  2   50.0433502   -43.9937468
  2   14.9374500   -16.5946158
  2    5.0996937    -1.8728686
  3
  0   16.5503988     3.0000000
  1   19.1641591    10.4828609
  2    4.8910684    45.4561569
  5
  0   95.3645855     5.0000000
  1  119.1209062     5.5748307
  2   57.0795815   309.6493189
  2   17.4450910   125.5951809
  2    4.4636131    23.1977649
$*********************************************************************
$ Calcium atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 20
ECP 10 3 0
  5
  1 1270.4543808   -10.0000000
  2  260.2495057  -136.3684190
  2   59.7068501   -48.3403600
  2   17.6818150   -18.5141902
  2    5.9668207    -2.2114740
  3
  0   18.6029912     3.0000000
  1   21.4138971    11.7228027
  2    5.6851879    54.2117561
  5
  0  134.7687223     5.0000000
  1  181.8458004     5.1639340
  2   80.9240132   442.8686022
  2   23.3806993   175.0255989
  2    5.1868564    28.8217434
$*********************************************************************
$ Scandium atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 21
ECP 10 3 0
  3
  1  237.3166528   -10.0000000
  2   42.6489004   -48.9695553
  2   10.6211229    -8.7066044
  5
  0   69.2552324     3.0000000
  1   58.8953416    17.0584559
  2   27.2637459   167.9595412
  2    5.4737304   179.8382113
  2    5.1523607  -121.1523144
  6
  0   77.2512970     5.0000000
  1   44.4527155     6.1088195
  2   53.6854752   192.9384914
  2   18.9421170   127.2274755
  2    4.7970573    68.0945974
  2    4.4142925   -41.6469108
$*********************************************************************
$ Titanium atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 22
ECP 10 3 0
  3
  1  265.3263909   -10.0000000
  2   47.7687815   -51.8427816
  2   11.8903334    -9.1429145
  5
  0   81.4730696     3.0000000
  1   72.6496724    19.4825579
  2   31.8128213   207.3349279
  2    6.1664468   235.6744501
  2    5.8268347  -166.8784387
  5
  0   50.2966943     5.0000000
  1   63.5089754     5.5348822
  2   26.0996084   177.8419384
  2    5.6022573   107.4207153
  2    5.2171069   -71.9065902
$*********************************************************************
$ Vanadium atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 23
ECP 10 3 0
  3
  1  296.4487582   -10.0000000
  2   53.5015052   -54.8909808
  2   13.3204510    -9.7010586
  5
  0   93.2193654     3.0000000
  1   71.1029567    22.5345689
  2   33.8766993   216.5634009
  2    6.8691200   252.6822538
  2    6.4804722  -176.2671654
  5
  0   52.0953977     5.0000000
  1   65.6778411     5.7003555
  2   27.4703764   182.9054274
  2    6.2352020   117.2756226
  2    5.8139909   -78.5829134
$*********************************************************************
$ Chromium atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 24
ECP 10 3 0
  3
  1  329.2720539   -10.0000000
  2   59.5487597   -57.9409398
  2   14.8265966   -10.2623285
  5
  0  100.0260653     3.0000000
  1   67.8468124    25.2534599
  2   34.6771006   210.6472366
  2    7.6757005   235.2819587
  2    7.2077427  -152.5343461
  5
  0   47.9723321     5.0000000
  1   59.6224873     5.6390266
  2   26.0432600   164.8362198
  2    6.5582692   106.0168018
  2    6.1268236   -69.8585468
$*********************************************************************
$ Manganese atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 25
ECP 10 3 0
  3
  1  357.3914469   -10.0000000
  2   64.6477389   -60.2990287
  2   16.0960833   -10.4217834
  5
  0  107.4127215     3.0000000
  1  111.4958973    16.2591819
  2   46.5568346   276.9373928
  2    8.3688135   241.3174342
  2    7.7237489  -146.4635329
  5
  0   80.0415103     5.0000000
  1  105.6043646     5.7589756
  2   40.8300466   285.2918654
  2    8.0098457   143.4222647
  2    7.3390928   -88.7031851
$*********************************************************************
$ Iron atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 26
ECP 10 3 0
  3
  1  392.6149787    -10.0000000
  2   71.1756979    -63.2667518
  2   17.7320281    -10.9613338
  5
  0  126.0571895      3.0000000
  1  138.1264251     18.1729137
  2   54.2098858    339.1231164
  2    9.2837966    317.1068012
  2    8.6289082   -207.3421649
  5
  0   83.1759490      5.0000000
  1  106.0559938      5.9535930
  2   42.8284937    294.2665527
  2    8.7701805    154.4244635
  2    8.0397818    -95.3164249
$*********************************************************************
$ Cobalt atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 27
ECP 10 3 0
  3
  1  434.1076104   -10.0000000
  2   78.8402758   -66.7240276
  2   19.6037749   -11.7192243
  4
  0  151.2307582     3.0000000
  1  169.6790026    20.1553110
  2   64.9909423   413.3762244
  2   12.5076287   133.8727705
  4
  0   92.7319924     5.0000000
  1  121.1910183     6.1892353
  2   48.6265909   326.3215919
  2   11.9966971    73.8788970
$*********************************************************************
$ Nickel atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 28
ECP 10 3 0
  3
  1  469.9324331   -10.0000000
  2   85.4236411   -69.4084805
  2   21.2674984   -12.0951020
  4
  0  162.1686097     3.0000000
  1  176.5333232    22.0253618
  2   68.9562010   443.0181088
  2   13.5792838   145.5696411
  4
  0   69.0181506     5.0000000
  1  275.5955596     4.9882824
  2   47.1315453   256.6945853
  2   12.9874075    78.4754450
$*********************************************************************
$ Copper atom
$ ncore=10
$ Hay and Wadt, JCP 82, 299 (1985)
$*********************************************************************
A 29
ECP 10 3 0
  3
  1  511.9951763   -10.0000000
  2   93.2801074   -72.5548282
  2   23.2206669   -12.7450231
  4
  0  173.1180854     3.0000000
  1  185.2419886    23.8351825
  2   73.1517847   473.8930488
  2   14.6884157   157.6345823
  4
  0  100.7191369     5.0000000
  1  130.8345665     6.4990936
  2   53.8683720   351.4605395
  2   14.0989469    85.5016036
$*********************************************************************
