Input 10-bomd.03-td_restart.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138800e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909083166168784e-09 | PASS |
| Energy [step 2] | -1.058226789868566e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421116166028696e-09 | PASS |
| Energy [step 3] | -1.058222762721803e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.853241612565398e-09 | PASS |
| Energy [step 4] | -1.058219874544172e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.387297967260565e-09 | PASS |
| Forces [step 1] | -2.249842232055754e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041504699150764e-08 | PASS |
| Forces [step 2] | -2.378813087283368e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.219982436184708e-07 | PASS |
| Forces [step 3] | -2.490670045668691e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | -1.839297060490797e-07 | PASS |
| Forces [step 4] | -2.574369590128042e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 3.473300344003505e-07 | PASS |