Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619887e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 103] | -1.351222686779606e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | -4.440892098500626e-14 | PASS |
| Multipoles [step 83] | 5.517961619217391e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | 6.356720705369412e-14 | PASS |
| Multipoles [step 103] | 3.943654429051575e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | 1.547512118449390e-13 | PASS |