Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523201e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -1.243449787580175e-13 | PASS |
| Energy [step 52] | -1.351221767670770e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -1.598721155460225e-13 | PASS |
| Multipoles [step 0] | -5.177385354548231e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.177385354548231e-16 | PASS |
| Multipoles [step 52] | -3.817238054746983e-03 | -3.817238054777976e-03 | 6.990000000000000e-14 | 3.099343698353962e-14 | PASS |