Input 10-bomd.03-td_restart.inp
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138830e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908782961862926e-09 | PASS |
| Energy [step 2] | -1.058226789868576e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421023795473047e-09 | PASS |
| Energy [step 3] | -1.058222762699027e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.080995428372262e-09 | PASS |
| Energy [step 4] | -1.058219874496261e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.866411604913083e-09 | PASS |
| Forces [step 1] | -2.249842232065754e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041604699714149e-08 | PASS |
| Forces [step 2] | -2.378813081555445e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.214254512771351e-07 | PASS |
| Forces [step 3] | -2.490665935620288e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.270751341681976e-07 | PASS |
| Forces [step 4] | -2.574370368882222e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 2.694546163972689e-07 | PASS |