Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523207e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -1.936228954946273e-13 | PASS |
| Energy [step 52] | -1.351221767670783e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -2.877698079828406e-13 | PASS |
| Multipoles [step 0] | 7.180294515976408e-17 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.180294515976408e-17 | PASS |
| Multipoles [step 52] | -3.817238054767993e-03 | -3.817238054777976e-03 | 6.990000000000000e-14 | 9.983333604246525e-15 | PASS |