mirror of https://gitlab.com/QEF/q-e.git
43 lines
3.3 KiB
SYSTEMD
43 lines
3.3 KiB
SYSTEMD
RESTART INFORMATION
|
|
28
|
|
50
|
|
0
|
|
NUMBER OF IMAGES
|
|
5
|
|
ENERGIES, POSITIONS AND GRADIENTS
|
|
Image: 1
|
|
-25.3319525509
|
|
0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 0.000000000000 0 0 0
|
|
5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0 0 0
|
|
0.000000000000 5.411138430000 0.000000000000 0.000000000000 -0.000000000000 0.000000000000 0 0 0
|
|
5.411138430000 5.411138430000 0.000000000000 -0.000000000000 0.000000000000 -0.000000000000 0 0 0
|
|
0.000000000000 0.000000000000 3.110553670000 0.000000000000 -0.000000000000 0.000621630713 0 0 1
|
|
Image: 2
|
|
-25.3346420834
|
|
0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 0.000000000000
|
|
5.411138430000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
|
|
0.000000000000 5.411138430000 0.000000000000 -0.000000000000 0.000000000000 -0.000000000000
|
|
5.411138430000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000
|
|
1.395792655485 1.395792655485 2.484046719327 -0.000000000000 -0.000000000000 -0.000289350881
|
|
Image: 3
|
|
-25.3313501830
|
|
0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 -0.000000000000
|
|
5.411138430000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
|
|
0.000000000000 5.411138430000 0.000000000000 -0.000000000000 0.000000000000 -0.000000000000
|
|
5.411138430000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000
|
|
2.705559538116 2.705559538116 1.519462000858 0.000000000000 0.000000000000 0.000539214826
|
|
Image: 4
|
|
-25.3346421060
|
|
0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000 -0.000000000000
|
|
5.411138430000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
|
|
0.000000000000 5.411138430000 0.000000000000 -0.000000000000 0.000000000000 -0.000000000000
|
|
5.411138430000 5.411138430000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
|
|
4.015387308081 4.015387308081 2.483994200662 0.000000000000 0.000000000000 -0.000295068301
|
|
Image: 5
|
|
-25.3319603863
|
|
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000000000000
|
|
5.411138430000 0.000000000000 0.000000000000 -0.000000000000 0.000000000000 0.000000000000
|
|
0.000000000000 5.411138430000 0.000000000000 -0.000000000000 -0.000000000000 0.000000000000
|
|
5.411138430000 5.411138430000 0.000000000000 0.000000000000 -0.000000000000 0.000000000000
|
|
5.411138430000 5.411138430000 3.110553670000 0.000000000000 0.000000000000 0.000611927110
|