Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619895e+01 | -1.351221987619888e+01 | 2.640000000000000e-13 | -6.750155989720952e-14 | PASS |
| Energy [step 103] | -1.351222686779611e+01 | -1.351222686779602e+01 | 2.760000000000000e-13 | -8.704148513061227e-14 | PASS |
| Multipoles [step 83] | 5.517961619223500e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | 6.417815497788970e-14 | PASS |
| Multipoles [step 103] | 3.943654428804198e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -9.262555999978161e-14 | PASS |