Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619888e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | -1.776356839400250e-15 | PASS |
| Energy [step 103] | -1.351222686779606e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | -3.907985046680551e-14 | PASS |
| Multipoles [step 83] | 5.517961618745164e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | 1.634456459065348e-14 | PASS |
| Multipoles [step 103] | 3.943654428773586e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -1.232382251803443e-13 | PASS |