Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619874e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | 1.403321903126198e-13 | PASS |
| Energy [step 103] | -1.351222686779600e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | 2.486899575160351e-14 | PASS |
| Multipoles [step 83] | 5.517961618276222e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | -3.054967303434131e-14 | PASS |
| Multipoles [step 103] | 3.943654428725619e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -1.712050640145790e-13 | PASS |