Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351387940465802e+01 | -1.351387940465781e+01 | 5.000000000000000e-13 | -2.113864638886298e-13 | PASS |
| Energy [step 52] | -1.351350086579658e+01 | -1.351350086579652e+01 | 5.000000000000000e-13 | -6.039613253960852e-14 | PASS |
| Multipoles [step 0] | -2.313299839266231e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.313299839266231e-16 | PASS |
| Multipoles [step 52] | -3.793333093303076e-03 | -3.793333093268998e-03 | 1.000000000000000e-13 | -3.407864268556438e-14 | PASS |