PTEROSOR/QuAcK
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QuAcK/input/basis

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debug numgrid
2020-03-25 12:56:28 +01:00
1 6
S 8
1 2940.0000000 0.0006800
2 441.2000000 0.0052360
3 100.5000000 0.0266060
4 28.4300000 0.0999930
5 9.1690000 0.2697020
6 3.1960000 0.4514690
7 1.1590000 0.2950740
8 0.1811000 0.0125870
S 8
1 2940.0000000 -0.0001230
2 441.2000000 -0.0009660
3 100.5000000 -0.0048310
4 28.4300000 -0.0193140
5 9.1690000 -0.0532800
6 3.1960000 -0.1207230
7 1.1590000 -0.1334350
8 0.1811000 0.5307670
spinorbital G0T0 OK
2020-03-24 14:55:22 +01:00
S 1
debug numgrid
2020-03-25 12:56:28 +01:00
1 0.0589000 1.0000000
P 3
1 3.6190000 0.0291110
2 0.7110000 0.1693650
3 0.1951000 0.5134580
LIM
2020-03-18 11:10:21 +01:00
P 1
debug numgrid
2020-03-25 12:56:28 +01:00
1 0.0601800 1.0000000
D 1
1 0.2380000 1.0000000
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