PTEROSOR/QuAcK
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QuAcK/input/basis

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done
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1 6
stupid big in qsGW BSE
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S 8 1.00
done
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9046.0000000 0.0007000
1357.0000000 0.0053890
309.3000000 0.0274060
87.7300000 0.1032070
28.5600000 0.2787230
10.2100000 0.4485400
3.8380000 0.2782380
0.7466000 0.0154400
stupid big in qsGW BSE
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S 8 1.00
done
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9046.0000000 -0.0001530
1357.0000000 -0.0012080
309.3000000 -0.0059920
87.7300000 -0.0245440
28.5600000 -0.0674590
10.2100000 -0.1580780
3.8380000 -0.1218310
0.7466000 0.5490030
scan diatomics
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S 1 1.00
done
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0.2248000 1.0000000
stupid big in qsGW BSE
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P 3 1.00
done
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13.5500000 0.0399190
2.9170000 0.2171690
0.7973000 0.5103190
scan diatomics
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P 1 1.00
done
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0.2185000 1.0000000
scan diatomics
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D 1 1.00
done
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0.8170000 1.0000000
2 6
S 8 1.00
9046.0000000 0.0007000
1357.0000000 0.0053890
309.3000000 0.0274060
87.7300000 0.1032070
28.5600000 0.2787230
10.2100000 0.4485400
3.8380000 0.2782380
0.7466000 0.0154400
S 8 1.00
9046.0000000 -0.0001530
1357.0000000 -0.0012080
309.3000000 -0.0059920
87.7300000 -0.0245440
28.5600000 -0.0674590
10.2100000 -0.1580780
3.8380000 -0.1218310
0.7466000 0.5490030
scan diatomics
2019-09-23 18:36:55 +02:00
S 1 1.00
done
2019-09-26 22:46:32 +02:00
0.2248000 1.0000000
P 3 1.00
13.5500000 0.0399190
2.9170000 0.2171690
0.7973000 0.5103190
scan diatomics
2019-09-23 18:36:55 +02:00
P 1 1.00
done
2019-09-26 22:46:32 +02:00
0.2185000 1.0000000
D 1 1.00
0.8170000 1.0000000
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