Input 10-bomd.03-td_restart.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198721710e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.920025524299490e-09 | PASS |
| Energy [step 2] | -1.058226791349665e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.389866496509967e-09 | PASS |
| Energy [step 3] | -1.058222763842670e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -3.355435040930388e-09 | PASS |
| Energy [step 4] | -1.058219875401396e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -1.849436159773177e-10 | PASS |
| Forces [step 1] | -2.249842023665724e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.042395597616874e-08 | PASS |
| Forces [step 2] | -2.378810650149489e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.217151443522191e-07 | PASS |
| Forces [step 3] | -2.490659365394259e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 8.840977371304959e-07 | PASS |
| Forces [step 4] | -2.574357391432637e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 1.567199574947775e-06 | PASS |