Input 10-bomd.03-td_restart.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198717938e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.882304586814826e-09 | PASS |
| Energy [step 2] | -1.058226791345614e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.349356678787444e-09 | PASS |
| Energy [step 3] | -1.058222764033585e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.264583435860004e-09 | PASS |
| Energy [step 4] | -1.058219875816982e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.340797943314101e-09 | PASS |
| Forces [step 1] | -2.249842024214718e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.036905664109078e-08 | PASS |
| Forces [step 2] | -2.378810645081660e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.222219272178915e-07 | PASS |
| Forces [step 3] | -2.490664444293727e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 3.762077903091132e-07 | PASS |
| Forces [step 4] | -2.574353504927144e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 1.955850124191194e-06 | PASS |