Input 10-bomd.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198719020e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.893122599966773e-09 | PASS |
| Energy [step 2] | -1.058226791347158e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.364798548792351e-09 | PASS |
| Energy [step 3] | -1.058222764036787e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.296604044247033e-09 | PASS |
| Energy [step 4] | -1.058219875828214e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.453116986269379e-09 | PASS |
| Forces [step 1] | -2.249842023891822e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.040134625651667e-08 | PASS |
| Forces [step 2] | -2.378810658189521e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.209111410993557e-07 | PASS |
| Forces [step 3] | -2.490664680712672e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 3.525658957836963e-07 | PASS |
| Forces [step 4] | -2.574373181669237e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -1.182408509992072e-08 | PASS |