Input 10-bomd.03-td_restart.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138809e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908990795613136e-09 | PASS |
| Energy [step 2] | -1.058226789868630e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.420485559350709e-09 | PASS |
| Energy [step 3] | -1.058222762791357e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.157694881243515e-09 | PASS |
| Energy [step 4] | -1.058219874690250e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 6.926518025807127e-09 | PASS |
| Forces [step 1] | -2.249842232074890e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041696059966846e-08 | PASS |
| Forces [step 2] | -2.378813080875011e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.213574079284019e-07 | PASS |
| Forces [step 3] | -2.490658462762951e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 9.743608679058102e-07 | PASS |
| Forces [step 4] | -2.574377679210553e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -4.615782167038951e-07 | PASS |