Input 10-bomd.03-td_restart.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198717802e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.880942121119006e-09 | PASS |
| Energy [step 2] | -1.058226791345243e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.345645869349937e-09 | PASS |
| Energy [step 3] | -1.058222763895758e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -3.886306387812510e-09 | PASS |
| Energy [step 4] | -1.058219875520666e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -1.377639335942149e-09 | PASS |
| Forces [step 1] | -2.249842024225046e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.036802377285539e-08 | PASS |
| Forces [step 2] | -2.378810636286451e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.231014480629344e-07 | PASS |
| Forces [step 3] | -2.490660850108312e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 7.356263317936929e-07 | PASS |
| Forces [step 4] | -2.574378006260591e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -4.942832205201420e-07 | PASS |