Input 10-bomd.03-td_restart.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138710e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909983779086360e-09 | PASS |
| Energy [step 2] | -1.058226789868461e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.422167769277621e-09 | PASS |
| Energy [step 3] | -1.058222762700194e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.069330093007920e-09 | PASS |
| Energy [step 4] | -1.058219874509509e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.733923806403254e-09 | PASS |
| Forces [step 1] | -2.249842232083548e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041782635158306e-08 | PASS |
| Forces [step 2] | -2.378813081609790e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.214308857910851e-07 | PASS |
| Forces [step 3] | -2.490665863052804e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.343318825925866e-07 | PASS |
| Forces [step 4] | -2.574353845661543e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 1.921776684288279e-06 | PASS |