Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138813e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908951715762669e-09 |
PASS |
| Energy [step 2] |
-1.058226789868539e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421391501338803e-09 |
PASS |
| Energy [step 3] |
-1.058222762686997e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.201300971677483e-09 |
PASS |
| Energy [step 4] |
-1.058219874485712e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.971895226750348e-09 |
PASS |
| Forces [step 1] |
-2.249842232059181e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041538968959976e-08 |
PASS |
| Forces [step 2] |
-2.378813084426857e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.217125925323526e-07 |
PASS |
| Forces [step 3] |
-2.490665942376108e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.263995522444606e-07 |
PASS |
| Forces [step 4] |
-2.574365975501731e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
7.087926655047205e-07 |
PASS |