Input 10-bomd.03-td_restart.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138791e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909171984010754e-09 | PASS |
| Energy [step 2] | -1.058226789868701e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.419767911187591e-09 | PASS |
| Energy [step 3] | -1.058222762723272e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.838552917860397e-09 | PASS |
| Energy [step 4] | -1.058219874545716e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.371863202683016e-09 | PASS |
| Forces [step 1] | -2.249842232048516e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041432320936231e-08 | PASS |
| Forces [step 2] | -2.378813093485376e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.226184443703371e-07 | PASS |
| Forces [step 3] | -2.490656845742950e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 1.136062868001275e-06 | PASS |
| Forces [step 4] | -2.574371343762188e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 1.719666197774750e-07 | PASS |