Input 10-bomd.03-td_restart.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138736e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909720878274129e-09 | PASS |
| Energy [step 2] | -1.058226789868474e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.422038095228345e-09 | PASS |
| Energy [step 3] | -1.058222762693747e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.133804740850792e-09 | PASS |
| Energy [step 4] | -1.058219874487963e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.949385232881468e-09 | PASS |
| Forces [step 1] | -2.249842232068537e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041632533005377e-08 | PASS |
| Forces [step 2] | -2.378813085414384e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.218113451773029e-07 | PASS |
| Forces [step 3] | -2.490666168814714e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 2.037556916523187e-07 | PASS |
| Forces [step 4] | -2.574369000881060e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 4.062547325767163e-07 | PASS |