PTEROSOR/QuAcK
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QuAcK/input/weight

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iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
1 14
GW gap warning and antiresonnant term
2020-05-15 13:08:07 +02:00
S 8
non dTDA
2020-06-01 11:35:17 +02:00
1 8236.0000000 0.0005310
2 1235.0000000 0.0041080
3 280.8000000 0.0210870
4 79.2700000 0.0818530
5 25.5900000 0.2348170
6 8.9970000 0.4344010
7 3.3190000 0.3461290
8 0.3643000 -0.0089830
GW gap warning and antiresonnant term
2020-05-15 13:08:07 +02:00
S 8
non dTDA
2020-06-01 11:35:17 +02:00
1 8236.0000000 -0.0001130
2 1235.0000000 -0.0008780
3 280.8000000 -0.0045400
4 79.2700000 -0.0181330
5 25.5900000 -0.0557600
6 8.9970000 -0.1268950
7 3.3190000 -0.1703520
8 0.3643000 0.5986840
GIC functional working
2020-04-06 23:34:49 +02:00
S 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.9059000 1.0000000
Done with 3st ensemble
2020-04-27 23:04:00 +02:00
S 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.1285000 1.0000000
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
S 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.0440200 1.0000000
GW gap warning and antiresonnant term
2020-05-15 13:08:07 +02:00
P 3
non dTDA
2020-06-01 11:35:17 +02:00
1 18.7100000 0.0140310
2 4.1330000 0.0868660
3 1.2000000 0.2902160
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
P 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.3827000 1.0000000
saving eDFT
2020-05-05 16:45:10 +02:00
P 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.1209000 1.0000000
Done with 3st ensemble
2020-04-27 23:04:00 +02:00
P 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.0356900 1.0000000
saving eDFT
2020-05-05 16:45:10 +02:00
D 1
non dTDA
2020-06-01 11:35:17 +02:00
1 1.0970000 1.0000000
saving eDFT
2020-05-05 16:45:10 +02:00
D 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.3180000 1.0000000
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
D 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.1000000 1.0000000
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
F 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.7610000 1.0000000
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
F 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.2680000 1.0000000
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
2 14
GW gap warning and antiresonnant term
2020-05-15 13:08:07 +02:00
S 8
non dTDA
2020-06-01 11:35:17 +02:00
1 8236.0000000 0.0005310
2 1235.0000000 0.0041080
3 280.8000000 0.0210870
4 79.2700000 0.0818530
5 25.5900000 0.2348170
6 8.9970000 0.4344010
7 3.3190000 0.3461290
8 0.3643000 -0.0089830
GW gap warning and antiresonnant term
2020-05-15 13:08:07 +02:00
S 8
non dTDA
2020-06-01 11:35:17 +02:00
1 8236.0000000 -0.0001130
2 1235.0000000 -0.0008780
3 280.8000000 -0.0045400
4 79.2700000 -0.0181330
5 25.5900000 -0.0557600
6 8.9970000 -0.1268950
7 3.3190000 -0.1703520
8 0.3643000 0.5986840
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
S 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.9059000 1.0000000
Three-state extension and MOM
2020-04-26 23:17:27 +02:00
S 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.1285000 1.0000000
Done with 3st ensemble
2020-04-27 23:04:00 +02:00
S 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.0440200 1.0000000
GW gap warning and antiresonnant term
2020-05-15 13:08:07 +02:00
P 3
non dTDA
2020-06-01 11:35:17 +02:00
1 18.7100000 0.0140310
2 4.1330000 0.0868660
3 1.2000000 0.2902160
saving eDFT
2020-05-05 16:45:10 +02:00
P 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.3827000 1.0000000
Done with 3st ensemble
2020-04-27 23:04:00 +02:00
P 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.1209000 1.0000000
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
P 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.0356900 1.0000000
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
D 1
non dTDA
2020-06-01 11:35:17 +02:00
1 1.0970000 1.0000000
saving eDFT
2020-05-05 16:45:10 +02:00
D 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.3180000 1.0000000
saving eDFT
2020-05-05 16:45:10 +02:00
D 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.1000000 1.0000000
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
F 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.7610000 1.0000000
iterative dynamic correction for BSE
2020-05-21 16:13:52 +02:00
F 1
non dTDA
2020-06-01 11:35:17 +02:00
1 0.2680000 1.0000000
3 9
S 3
1 33.8700000 0.0060680
2 5.0950000 0.0453080
3 1.1590000 0.2028220
S 1
1 0.3258000 1.0000000
S 1
1 0.1027000 1.0000000
S 1
1 0.0252600 1.0000000
P 1
1 1.4070000 1.0000000
P 1
1 0.3880000 1.0000000
P 1
1 0.1020000 1.0000000
D 1
1 1.0570000 1.0000000
D 1
1 0.2470000 1.0000000
4 9
S 3
1 33.8700000 0.0060680
2 5.0950000 0.0453080
3 1.1590000 0.2028220
S 1
1 0.3258000 1.0000000
S 1
1 0.1027000 1.0000000
S 1
1 0.0252600 1.0000000
P 1
1 1.4070000 1.0000000
P 1
1 0.3880000 1.0000000
P 1
1 0.1020000 1.0000000
D 1
1 1.0570000 1.0000000
D 1
1 0.2470000 1.0000000
5 9
S 3
1 33.8700000 0.0060680
2 5.0950000 0.0453080
3 1.1590000 0.2028220
S 1
1 0.3258000 1.0000000
S 1
1 0.1027000 1.0000000
S 1
1 0.0252600 1.0000000
P 1
1 1.4070000 1.0000000
P 1
1 0.3880000 1.0000000
P 1
1 0.1020000 1.0000000
D 1
1 1.0570000 1.0000000
D 1
1 0.2470000 1.0000000
6 9
S 3
1 33.8700000 0.0060680
2 5.0950000 0.0453080
3 1.1590000 0.2028220
S 1
1 0.3258000 1.0000000
S 1
1 0.1027000 1.0000000
S 1
1 0.0252600 1.0000000
P 1
1 1.4070000 1.0000000
P 1
1 0.3880000 1.0000000
P 1
1 0.1020000 1.0000000
D 1
1 1.0570000 1.0000000
D 1
1 0.2470000 1.0000000
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