PTEROSOR/QuAcK
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QuAcK/input/weight

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correction of EA sign and added Fundamental Gap in the print
2020-07-09 10:44:19 +02:00
1 10
S 4
1 528.5000000 0.0009400
2 79.3100000 0.0072140
3 18.0500000 0.0359750
4 5.0850000 0.1277820
non dTDA
2020-06-01 11:35:17 +02:00
S 1
correction of EA sign and added Fundamental Gap in the print
2020-07-09 10:44:19 +02:00
1 1.6090000 1.0000000
S 1
1 0.5363000 1.0000000
S 1
1 0.1833000 1.0000000
P 1
1 5.9940000 1.0000000
P 1
1 1.7450000 1.0000000
non dTDA
2020-06-01 11:35:17 +02:00
P 1
correction of EA sign and added Fundamental Gap in the print
2020-07-09 10:44:19 +02:00
1 0.5600000 1.0000000
D 1
1 4.2990000 1.0000000
D 1
1 1.2230000 1.0000000
F 1
1 2.6800000 1.0000000
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