Input 10-bomd.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138796e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909115140591894e-09 | PASS |
| Energy [step 2] | -1.058226789868519e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421588676947977e-09 | PASS |
| Energy [step 3] | -1.058222762683748e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.233794090983793e-09 | PASS |
| Energy [step 4] | -1.058219874506003e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.768983761342497e-09 | PASS |
| Forces [step 1] | -2.249842232063117e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041578331917314e-08 | PASS |
| Forces [step 2] | -2.378813083621628e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.216320696384443e-07 | PASS |
| Forces [step 3] | -2.490665833943154e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.372428475894139e-07 | PASS |
| Forces [step 4] | -2.574373638588094e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -5.751597081937732e-08 | PASS |