Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351350309405772e+01 | -1.351350309405791e+01 | 3.000000000000000e-13 | 1.936228954946273e-13 | PASS |
| Energy [step 103] | -1.351351009473356e+01 | -1.351351009473370e+01 | 4.500000000000000e-13 | 1.385558334732195e-13 | PASS |
| Multipoles [step 83] | 6.218975442439697e-04 | 6.218975443429170e-04 | 3.000000000000000e-13 | -9.894732602711009e-14 | PASS |
| Multipoles [step 103] | 3.990050594156216e-03 | 3.990050594276555e-03 | 3.000000000000000e-13 | -1.203395022519871e-13 | PASS |