Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523195e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -6.394884621840902e-14 | PASS |
| Energy [step 52] | -1.351221767670779e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -2.504663143554353e-13 | PASS |
| Multipoles [step 0] | -4.829988764102867e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.829988764102867e-16 | PASS |
| Multipoles [step 52] | -3.817238054804279e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -3.088328204281510e-14 | PASS |