Input 10-bomd.03-td_restart.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198720714e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.910056609716776e-09 | PASS |
| Energy [step 2] | -1.058226791348808e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.381295574759861e-09 | PASS |
| Energy [step 3] | -1.058222763926020e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -4.188926538972737e-09 | PASS |
| Energy [step 4] | -1.058219875570743e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -1.878408539823795e-09 | PASS |
| Forces [step 1] | -2.249842023732002e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.041732816675633e-08 | PASS |
| Forces [step 2] | -2.378810664047957e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.203252974757429e-07 | PASS |
| Forces [step 3] | -2.490662231298916e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 5.975072713826357e-07 | PASS |
| Forces [step 4] | -2.574370210826932e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 2.852601454494952e-07 | PASS |