Input 10-bomd.03-td_restart.inp
Commits >
Commit f484e314acc228329e17ffb1f42ae4a074ecf8ad >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198716859e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.871507889944951e-09 | PASS |
| Energy [step 2] | -1.058226791345260e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.345818175963359e-09 | PASS |
| Energy [step 3] | -1.058222763989980e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -4.828528687994549e-09 | PASS |
| Energy [step 4] | -1.058219875689008e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -3.061057185504978e-09 | PASS |
| Forces [step 1] | -2.249842024095937e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.038093475069779e-08 | PASS |
| Forces [step 2] | -2.378810655534792e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.211766140485349e-07 | PASS |
| Forces [step 3] | -2.490662835050610e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 5.371321020186670e-07 | PASS |
| Forces [step 4] | -2.574379962023869e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -6.898595482640602e-07 | PASS |