Input 10-bomd.03-td_restart.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138716e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909916277526463e-09 | PASS |
| Energy [step 2] | -1.058226789868466e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.422121583999797e-09 | PASS |
| Energy [step 3] | -1.058222762698422e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.087051028837777e-09 | PASS |
| Energy [step 4] | -1.058219874497736e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.851655408648185e-09 | PASS |
| Forces [step 1] | -2.249842232069935e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041646505162142e-08 | PASS |
| Forces [step 2] | -2.378813086122550e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.218821618076404e-07 | PASS |
| Forces [step 3] | -2.490666503889415e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 1.702482214926970e-07 | PASS |
| Forces [step 4] | -2.574367778571833e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 5.284856553489092e-07 | PASS |