Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351387940465763e+01 | -1.351387940465781e+01 | 5.000000000000000e-13 | 1.794120407794253e-13 | PASS |
| Energy [step 52] | -1.351350086579622e+01 | -1.351350086579652e+01 | 5.000000000000000e-13 | 3.019806626980426e-13 | PASS |
| Multipoles [step 0] | -1.542199892844154e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.542199892844154e-16 | PASS |
| Multipoles [step 52] | -3.793333093200318e-03 | -3.793333093268998e-03 | 1.000000000000000e-13 | 6.867943713739777e-14 | PASS |