Input 10-bomd.03-td_restart.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-parallel-debug: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138814e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908935728551114e-09 | PASS |
| Energy [step 2] | -1.058226789868619e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.420593917117912e-09 | PASS |
| Energy [step 3] | -1.058222762774968e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.321588668673940e-09 | PASS |
| Energy [step 4] | -1.058219874642343e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 7.405587254538659e-09 | PASS |
| Forces [step 1] | -2.249842232050738e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041454542050069e-08 | PASS |
| Forces [step 2] | -2.378813089177292e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.221876359536189e-07 | PASS |
| Forces [step 3] | -2.490676878772972e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | -8.672401342058045e-07 | PASS |
| Forces [step 4] | -2.574366992380876e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 6.071047510269878e-07 | PASS |