Input 10-bomd.03-td_restart.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138685e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.910227139973358e-09 | PASS |
| Energy [step 2] | -1.058226789868422e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.422563896852807e-09 | PASS |
| Energy [step 3] | -1.058222762693280e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.138474782981575e-09 | PASS |
| Energy [step 4] | -1.058219874484920e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.979823107324592e-09 | PASS |
| Forces [step 1] | -2.249842232076400e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041711156224423e-08 | PASS |
| Forces [step 2] | -2.378813085168879e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.217867946767814e-07 | PASS |
| Forces [step 3] | -2.490666120513256e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.085858374079042e-07 | PASS |
| Forces [step 4] | -2.574374846774971e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -1.783346584294243e-07 | PASS |