Input 10-bomd.03-td_restart.inp
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138784e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909234156500133e-09 | PASS |
| Energy [step 2] | -1.058226789868513e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421649073080516e-09 | PASS |
| Energy [step 3] | -1.058222762687819e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.193078215867899e-09 | PASS |
| Energy [step 4] | -1.058219874468192e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 9.147095525463556e-09 | PASS |
| Forces [step 1] | -2.249842232069119e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041638353349583e-08 | PASS |
| Forces [step 2] | -2.378813082337735e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.215036802837410e-07 | PASS |
| Forces [step 3] | -2.490665909924816e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.296446814376019e-07 | PASS |
| Forces [step 4] | -2.574368229453132e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 4.833975254525669e-07 | PASS |