Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351387940465810e+01 | -1.351387940465781e+01 | 5.000000000000000e-13 | -2.895461648222408e-13 | PASS |
| Energy [step 52] | -1.351350086579672e+01 | -1.351350086579652e+01 | 5.000000000000000e-13 | -1.953992523340276e-13 | PASS |
| Multipoles [step 0] | -3.459622527474050e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.459622527474050e-16 | PASS |
| Multipoles [step 52] | -3.793333093306446e-03 | -3.793333093268998e-03 | 1.000000000000000e-13 | -3.744790935678033e-14 | PASS |