Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523194e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -5.861977570020827e-14 | PASS |
| Energy [step 52] | -1.351221767670774e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -1.989519660128281e-13 | PASS |
| Multipoles [step 0] | -3.726122471754597e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.726122471754597e-16 | PASS |
| Multipoles [step 52] | -3.817238054781645e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -8.248610128269718e-15 | PASS |