Input 10-bomd.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198646998e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.172902272145620e-09 | PASS |
| Energy [step 2] | -1.058226791355821e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.451429695493061e-09 | PASS |
| Energy [step 3] | -1.058222764088264e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.811367387309474e-09 | PASS |
| Energy [step 4] | -1.058219875799204e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.163016598113245e-09 | PASS |
| Forces [step 1] | -2.249842029751294e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 9.815398993584523e-09 | PASS |
| Forces [step 2] | -2.378812346990070e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -4.796891375780099e-08 | PASS |
| Forces [step 3] | -2.490663575585342e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 4.630786288040145e-07 | PASS |
| Forces [step 4] | -2.574374132384469e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -1.068956083094541e-07 | PASS |