Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 368be28936f76d73ed8ffdbffb2589aae6837ea5 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619887e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 103] | -1.351222686779609e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | -6.750155989720952e-14 | PASS |
| Multipoles [step 83] | 5.517961617749529e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | -8.321891353108013e-14 | PASS |
| Multipoles [step 103] | 3.943654428888600e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -8.223456637868054e-15 | PASS |