Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680663e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112273436860050e-09 |
PASS |
| Energy [step 2] |
-1.058224115550321e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.145189329094137e-09 |
PASS |
| Energy [step 3] |
-1.058220088788847e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
7.042228133968820e-09 |
PASS |
| Energy [step 4] |
-1.058217201016503e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
6.058229473637766e-09 |
PASS |
| Forces [step 1] |
-2.249921906437951e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.587340061261273e-09 |
PASS |
| Forces [step 2] |
-2.378889666186282e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-2.274644589350672e-08 |
PASS |
| Forces [step 3] |
-2.490737665205958e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.795134193793846e-07 |
PASS |
| Forces [step 4] |
-2.574431444661237e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
6.007042441247279e-07 |
PASS |