Input 10-bomd.03-td_restart.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138818e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908900201414326e-09 | PASS |
| Energy [step 2] | -1.058226789868777e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.419005854103489e-09 | PASS |
| Energy [step 3] | -1.058222762736980e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.701469684207041e-09 | PASS |
| Energy [step 4] | -1.058219874574372e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.085297764637289e-09 | PASS |
| Forces [step 1] | -2.249842232080638e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041753541763946e-08 | PASS |
| Forces [step 2] | -2.378813081283661e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.213982729064700e-07 | PASS |
| Forces [step 3] | -2.490671898583023e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | -3.692211393291345e-07 | PASS |
| Forces [step 4] | -2.574367871710081e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 5.191718305264104e-07 | PASS |