Input 10-bomd.03-td_restart.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198643610e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.139023594504579e-09 | PASS |
| Energy [step 2] | -1.058226791295321e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -6.846427424989088e-09 | PASS |
| Energy [step 3] | -1.058222764040494e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.333667729701119e-09 | PASS |
| Energy [step 4] | -1.058219875835434e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.525325891790999e-09 | PASS |
| Forces [step 1] | -2.249842031469698e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 9.643558590566315e-09 | PASS |
| Forces [step 2] | -2.378811162824062e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 7.044768704500548e-08 | PASS |
| Forces [step 3] | -2.490665486620123e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.719751507063162e-07 | PASS |
| Forces [step 4] | -2.574380885624223e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -7.822195836615364e-07 | PASS |