Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680585e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.113047928442029e-09 |
PASS |
| Energy [step 2] |
-1.058224115547191e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.176485183890691e-09 |
PASS |
| Energy [step 3] |
-1.058220088802775e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
6.902951099618804e-09 |
PASS |
| Energy [step 4] |
-1.058217201051403e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
5.709225092687120e-09 |
PASS |
| Forces [step 1] |
-2.249921906350157e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.578560722893869e-09 |
PASS |
| Forces [step 2] |
-2.378889635432724e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-1.967109014566759e-08 |
PASS |
| Forces [step 3] |
-2.490735600622715e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
3.859717437326715e-07 |
PASS |
| Forces [step 4] |
-2.574431075510057e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
6.376193620871717e-07 |
PASS |