Input 10-bomd.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138849e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908585786253752e-09 | PASS |
| Energy [step 2] | -1.058226789868623e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.420549508196927e-09 | PASS |
| Energy [step 3] | -1.058222762732924e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.742027463564227e-09 | PASS |
| Energy [step 4] | -1.058219874578364e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.045374144671769e-09 | PASS |
| Forces [step 1] | -2.249842232047877e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041425926051609e-08 | PASS |
| Forces [step 2] | -2.378813087744718e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.220443785754366e-07 | PASS |
| Forces [step 3] | -2.490671543212435e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | -3.336840804779584e-07 | PASS |
| Forces [step 4] | -2.574373535472002e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -4.720436153071716e-08 | PASS |