Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619895e+01 | -1.351221987619888e+01 | 2.640000000000000e-13 | -6.750155989720952e-14 | PASS |
| Energy [step 103] | -1.351222686779600e+01 | -1.351222686779602e+01 | 2.760000000000000e-13 | 2.486899575160351e-14 | PASS |
| Multipoles [step 83] | 5.517961619328828e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | 7.471096224315188e-14 | PASS |
| Multipoles [step 103] | 3.943654429046001e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | 1.491775453166255e-13 | PASS |