Input 10-bomd.03-td_restart.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138809e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908989019256296e-09 | PASS |
| Energy [step 2] | -1.058226789868535e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421432357546109e-09 | PASS |
| Energy [step 3] | -1.058222762686107e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.210202295799718e-09 | PASS |
| Energy [step 4] | -1.058219874480388e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 9.025141523011371e-09 | PASS |
| Forces [step 1] | -2.249842232060164e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041548799984859e-08 | PASS |
| Forces [step 2] | -2.378813084265863e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.216964931050057e-07 | PASS |
| Forces [step 3] | -2.490665911230232e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.295141398045430e-07 | PASS |
| Forces [step 4] | -2.574378564761102e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -5.501332716040253e-07 | PASS |