Input 10-bomd.03-td_restart.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138795e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909127575089769e-09 | PASS |
| Energy [step 2] | -1.058226789868717e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.419615144499403e-09 | PASS |
| Energy [step 3] | -1.058222762723701e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.834264792450085e-09 | PASS |
| Energy [step 4] | -1.058219874583069e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 7.998325557423414e-09 | PASS |
| Forces [step 1] | -2.249842232082172e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041768876719473e-08 | PASS |
| Forces [step 2] | -2.378813081094422e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.213793490439929e-07 | PASS |
| Forces [step 3] | -2.490677521603658e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | -9.315232027684583e-07 | PASS |
| Forces [step 4] | -2.574374888490823e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -1.825062436733305e-07 | PASS |