Input 10-bomd.03-td_restart.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198717947e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.882386299229438e-09 | PASS |
| Energy [step 2] | -1.058226791345299e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.346208974468027e-09 | PASS |
| Energy [step 3] | -1.058222763822681e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -3.155543382149517e-09 | PASS |
| Energy [step 4] | -1.058219875374679e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.223288716635579e-11 | PASS |
| Forces [step 1] | -2.249842024198546e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.037067384745960e-08 | PASS |
| Forces [step 2] | -2.378810641223183e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.226077749327814e-07 | PASS |
| Forces [step 3] | -2.490658874786146e-01 | -2.490668206371630e-01 | 1.070000000000000e-06 | 9.331585484051441e-07 | PASS |
| Forces [step 4] | -2.574371721437271e-01 | -2.574373063428386e-01 | 1.840000000000000e-06 | 1.341991114900409e-07 | PASS |