Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523186e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | 2.309263891220326e-14 | PASS |
| Energy [step 52] | -1.351221767670748e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | 5.861977570020827e-14 | PASS |
| Multipoles [step 0] | -2.873597849805547e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.873597849805547e-16 | PASS |
| Multipoles [step 52] | -3.817238054744662e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | 2.873395965607983e-14 | PASS |