Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717693e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.879851438019614e-09 |
PASS |
| Energy [step 2] |
-1.058226791345405e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.347267683144310e-09 |
PASS |
| Energy [step 3] |
-1.058222764040775e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.336476149864211e-09 |
PASS |
| Energy [step 4] |
-1.058219875813361e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-4.304588685499766e-09 |
PASS |
| Forces [step 1] |
-2.249842024211787e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036934971221370e-08 |
PASS |
| Forces [step 2] |
-2.378810657649871e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.209651060707362e-07 |
PASS |
| Forces [step 3] |
-2.490665306444916e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.899926713761936e-07 |
PASS |
| Forces [step 4] |
-2.574366982094575e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
6.081333811525091e-07 |
PASS |