Input 10-bomd.03-td_restart.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-min-parallel: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198643388e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.136804924812168e-09 | PASS |
| Energy [step 2] | -1.058226791295455e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -6.847773903473353e-09 | PASS |
| Energy [step 3] | -1.058222764039595e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.324677587736915e-09 | PASS |
| Energy [step 4] | -1.058219875794837e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.119350194287108e-09 | PASS |
| Forces [step 1] | -2.249842031506293e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 9.639899156699272e-09 | PASS |
| Forces [step 2] | -2.378811169488229e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 6.978127031764814e-08 | PASS |
| Forces [step 3] | -2.490665463617233e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 2.742754397211389e-07 | PASS |
| Forces [step 4] | -2.574368039227110e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 5.024201276127016e-07 | PASS |