Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523187e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 52] | -1.351221767670761e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -6.750155989720952e-14 | PASS |
| Multipoles [step 0] | 3.691420020186334e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.691420020186334e-16 | PASS |
| Multipoles [step 52] | -3.817238054768339e-03 | -3.817238054777976e-03 | 6.990000000000000e-14 | 9.636822589920158e-15 | PASS |