Input 17-oep-photons.01-kli-spinpolarized.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_debug_autotools: [foss2023a-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 | -4.855795857000000e+01 | -4.855795852000000e+01 | 1.000000000000000e-04 | -4.999999703159119e-08 | PASS |
| Eigenvalues energy | -2.765182893000000e+01 | -2.765182894000000e+01 | 1.000000000000000e-04 | 1.000000082740371e-08 | PASS |
| Photon number | 5.577986500000000e-03 | 5.577987000000000e-03 | 1.000000000000000e-04 | -5.000000006041838e-10 | PASS |
| Photon exchange | 1.066942000000000e-02 | 1.066942060000000e-02 | 1.000000000000000e-04 | -5.999999993372418e-10 | PASS |