Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138735e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.909724430987808e-09 |
PASS |
| Energy [step 2] |
-1.058226789868474e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.422039871585184e-09 |
PASS |
| Energy [step 3] |
-1.058222762693759e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.133678619515194e-09 |
PASS |
| Energy [step 4] |
-1.058219874488525e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.943770168912124e-09 |
PASS |
| Forces [step 1] |
-2.249842232068530e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041632460840880e-08 |
PASS |
| Forces [step 2] |
-2.378813085419169e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.218118237389376e-07 |
PASS |
| Forces [step 3] |
-2.490666169459824e-01 |
-2.490668206371630e-01 |
1.070000000000000e-06 |
2.036911806446717e-07 |
PASS |
| Forces [step 4] |
-2.574369093104058e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
3.970324328195218e-07 |
PASS |