Input 10-bomd.03-td_restart.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138808e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908999677397333e-09 | PASS |
| Energy [step 2] | -1.058226789868531e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421473213753416e-09 | PASS |
| Energy [step 3] | -1.058222762683766e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.233605797158816e-09 | PASS |
| Energy [step 4] | -1.058219874473791e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 9.091106534242499e-09 | PASS |
| Forces [step 1] | -2.249842232061845e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041565608761452e-08 | PASS |
| Forces [step 2] | -2.378813083615248e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.216314315932721e-07 | PASS |
| Forces [step 3] | -2.490665834168809e-01 | -2.490668206371630e-01 | 1.070000000000000e-06 | 2.372202820843938e-07 | PASS |
| Forces [step 4] | -2.574372608420684e-01 | -2.574373063428386e-01 | 1.840000000000000e-06 | 4.550077020715193e-08 | PASS |