Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523190e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -1.776356839400250e-14 | PASS |
| Energy [step 52] | -1.351221767670764e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -1.030286966852145e-13 | PASS |
| Multipoles [step 0] | -3.697953428120387e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.697953428120387e-16 | PASS |
| Multipoles [step 52] | -3.817238054805923e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -3.252693253630312e-14 | PASS |