Input 10-bomd.03-td_restart.inp
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138807e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909006782824690e-09 | PASS |
| Energy [step 2] | -1.058226789868538e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421396830409321e-09 | PASS |
| Energy [step 3] | -1.058222762692837e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.142903240582200e-09 | PASS |
| Energy [step 4] | -1.058219874508556e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.743461066273994e-09 | PASS |
| Forces [step 1] | -2.249842232058898e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041536143442379e-08 | PASS |
| Forces [step 2] | -2.378813084965825e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.217664893360393e-07 | PASS |
| Forces [step 3] | -2.490666098436023e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.107935607176259e-07 | PASS |
| Forces [step 4] | -2.574374136143873e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -1.072715486993836e-07 | PASS |