Input 19-qedft-breit-1d.01-etac-px.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total Energy | 1.113353330000000e+00 | 1.113353330000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalues energy | 5.915798200000000e-01 | 5.915800000000000e-01 | 1.000000000000000e-04 | -1.800000000162782e-07 | PASS |
| Photon exchange | 6.062648000000000e-01 | 6.062648000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |