Input 10-bomd.03-td_restart.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138807e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909013888252048e-09 | PASS |
| Energy [step 2] | -1.058226789868749e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.419286518484114e-09 | PASS |
| Energy [step 3] | -1.058222762724307e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.828203862914052e-09 | PASS |
| Energy [step 4] | -1.058219874548470e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.344319013531276e-09 | PASS |
| Forces [step 1] | -2.249842232081432e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041761474307457e-08 | PASS |
| Forces [step 2] | -2.378813081195751e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.213894819107608e-07 | PASS |
| Forces [step 3] | -2.490678619195181e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | -1.041282355063178e-06 | PASS |
| Forces [step 4] | -2.574376746302129e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -3.682873743193760e-07 | PASS |