Input 10-bomd.03-td_restart.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138807e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909006782824690e-09 | PASS |
| Energy [step 2] | -1.058226789868627e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.420512204703300e-09 | PASS |
| Energy [step 3] | -1.058222762791170e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.159574266779600e-09 | PASS |
| Energy [step 4] | -1.058219874689805e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 6.930973128760343e-09 | PASS |
| Forces [step 1] | -2.249842232075255e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041699712600597e-08 | PASS |
| Forces [step 2] | -2.378813080878663e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.213577730807547e-07 | PASS |
| Forces [step 3] | -2.490658477890910e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 9.728480720450072e-07 | PASS |
| Forces [step 4] | -2.574378337520478e-01 | -2.574373063428386e-01 | 1.840000000000000e-06 | -5.274092091389626e-07 | PASS |