Input 10-bomd.03-td_restart.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138790e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909179089438112e-09 | PASS |
| Energy [step 2] | -1.058226789868541e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421370185056730e-09 | PASS |
| Energy [step 3] | -1.058222762696322e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.108054672106846e-09 | PASS |
| Energy [step 4] | -1.058219874485928e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.969740505904156e-09 | PASS |
| Forces [step 1] | -2.249842232071330e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041660457890003e-08 | PASS |
| Forces [step 2] | -2.378813081532145e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.214231213075845e-07 | PASS |
| Forces [step 3] | -2.490665525641226e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.680730404325260e-07 | PASS |
| Forces [step 4] | -2.574374092986918e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -1.029558531762120e-07 | PASS |