LCPQ/quack
4
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2024-06-29 16:34:52 +02:00
Code Releases Activity
bf43db038e
quack/input/weight

59 lines
2.2 KiB
Plaintext
Raw Normal View History

done
2019-09-26 22:46:32 +02:00
1 6
stupid big in qsGW BSE
2019-09-26 21:36:46 +02:00
S 8 1.00
done
2019-09-26 22:46:32 +02:00
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
stupid big in qsGW BSE
2019-09-26 21:36:46 +02:00
S 8 1.00
done
2019-09-26 22:46:32 +02:00
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
stupid big in qsGW BSE
2019-09-26 21:36:46 +02:00
P 3 1.00
done
2019-09-26 22:46:32 +02:00
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
scan diatomics
2019-09-23 18:36:55 +02:00
D 1 1.00
done
2019-09-26 22:46:32 +02:00
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
Copy Permalink