Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680600e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112898714467519e-09 |
PASS |
| Energy [step 2] |
-1.058224115557508e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.073316155015164e-09 |
PASS |
| Energy [step 3] |
-1.058220088777416e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
7.156543802011583e-09 |
PASS |
| Energy [step 4] |
-1.058217200945690e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
6.766356364096282e-09 |
PASS |
| Forces [step 1] |
-2.249921906509544e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.594499445457870e-09 |
PASS |
| Forces [step 2] |
-2.378889796915242e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-3.581934190921565e-08 |
PASS |
| Forces [step 3] |
-2.490735359550108e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
4.100790043926050e-07 |
PASS |
| Forces [step 4] |
-2.574438430693805e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-9.789901272982959e-08 |
PASS |