Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619896e+01 | -1.351221987619888e+01 | 2.640000000000000e-13 | -7.815970093361102e-14 | PASS |
| Energy [step 103] | -1.351222686779608e+01 | -1.351222686779602e+01 | 2.760000000000000e-13 | -6.394884621840902e-14 | PASS |
| Multipoles [step 83] | 5.517961617368318e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | -1.213400040167567e-13 | PASS |
| Multipoles [step 103] | 3.943654428716896e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -1.799281210135284e-13 | PASS |