Input 10-bomd.03-td_restart.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138818e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908898425057487e-09 | PASS |
| Energy [step 2] | -1.058226789868544e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421339986990461e-09 | PASS |
| Energy [step 3] | -1.058222762686780e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.203473456092070e-09 | PASS |
| Energy [step 4] | -1.058219874502412e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.804899920278331e-09 | PASS |
| Forces [step 1] | -2.249842232063929e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041586447647624e-08 | PASS |
| Forces [step 2] | -2.378813082431811e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.215130878973181e-07 | PASS |
| Forces [step 3] | -2.490665891332214e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 2.315039415723419e-07 | PASS |
| Forces [step 4] | -2.574371227456267e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 1.835972118779949e-07 | PASS |