Input 10-bomd.03-td_restart.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
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 | 2.150000000000000e-06 | 4.368511785091123e-07 | PASS |