Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619881e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | 7.105427357601002e-14 | PASS |
| Energy [step 103] | -1.351222686779595e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | 7.283063041541027e-14 | PASS |
| Multipoles [step 83] | 5.517961618803767e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | 2.220489417337213e-14 | PASS |
| Multipoles [step 103] | 3.943654428785043e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -1.117803766215175e-13 | PASS |