Input 10-bomd.03-td_restart.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138801e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909070731670909e-09 | PASS |
| Energy [step 2] | -1.058226789868523e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421547820740670e-09 | PASS |
| Energy [step 3] | -1.058222762683497e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.236300530484186e-09 | PASS |
| Energy [step 4] | -1.058219874462724e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 9.201775341693974e-09 | PASS |
| Forces [step 1] | -2.249842232063388e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041581038085937e-08 | PASS |
| Forces [step 2] | -2.378813083408191e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.216107258783516e-07 | PASS |
| Forces [step 3] | -2.490665825152513e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.381219116887046e-07 | PASS |
| Forces [step 4] | -2.574370211292819e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 2.852135567721348e-07 | PASS |