Input 17-oep-photons.01-kli-spinpolarized.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run intel-parallel-debug: [intel2023a-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 | -4.855795847000000e+01 | -4.855795852000000e+01 | 1.000000000000000e-04 | 4.999999703159119e-08 | PASS |
| Eigenvalues energy | -2.765182882000000e+01 | -2.765182894000000e+01 | 1.000000000000000e-04 | 1.200000028234172e-07 | PASS |
| Photon number | 5.577986690000000e-03 | 5.577987000000000e-03 | 1.000000000000000e-04 | -3.100000004960246e-10 | PASS |
| Photon exchange | 1.066942000000000e-02 | 1.066942060000000e-02 | 1.000000000000000e-04 | -5.999999993372418e-10 | PASS |