Input 10-bomd.03-td_restart.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138703e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.910051280646258e-09 | PASS |
| Energy [step 2] | -1.058226789868798e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.418803349423797e-09 | PASS |
| Energy [step 3] | -1.058222762697877e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.092500891621057e-09 | PASS |
| Energy [step 4] | -1.058219874520447e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.624546410374023e-09 | PASS |
| Forces [step 1] | -2.249842232054776e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041494915310359e-08 | PASS |
| Forces [step 2] | -2.378813099816365e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.232515432769699e-07 | PASS |
| Forces [step 3] | -2.490668311310160e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | -1.049385300877503e-08 | PASS |
| Forces [step 4] | -2.574388087909391e-01 | -2.574373063428386e-01 | 1.840000000000000e-06 | -1.502448100487719e-06 | PASS |