Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138820e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908875332418575e-09 |
PASS |
| Energy [step 2] |
-1.058226789868542e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421359526915694e-09 |
PASS |
| Energy [step 3] |
-1.058222762683913e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.232134973695793e-09 |
PASS |
| Energy [step 4] |
-1.058219874582268e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.006336926769109e-09 |
PASS |
| Forces [step 1] |
-2.249842232061896e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041566116688486e-08 |
PASS |
| Forces [step 2] |
-2.378813082968548e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.215667616016880e-07 |
PASS |
| Forces [step 3] |
-2.490665831970734e-01 |
-2.490668206371630e-01 |
1.230000000000000e-06 |
2.374400895621687e-07 |
PASS |
| Forces [step 4] |
-2.574368694916601e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
4.368511785091123e-07 |
PASS |