Input 10-bomd.02-td.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010841188531231e-09 | PASS |
| Energy [step 2] | -1.058158908201927e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217429712596640e-09 | PASS |
| Energy [step 3] | -1.058145773725891e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509450425236537e-09 | PASS |
| Energy [step 4] | -1.058134609279452e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.581481943295330e-09 | PASS |
| Forces [step 1] | -1.538476408166950e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994359664051e-07 | PASS |
| Forces [step 2] | -1.732218447021882e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557435293183758e-08 | PASS |
| Forces [step 3] | -1.918261822192198e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697484431379849e-07 | PASS |
| Forces [step 4] | -2.092289486421139e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.342063096487767e-07 | PASS |