Input 17-oep-photons.01-kli-spinpolarized.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
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 | -4.855795843000000e+01 | -4.855795852000000e+01 | 1.000000000000000e-04 | 9.000000034120603e-08 | PASS |
| Eigenvalues energy | -2.765182877000000e+01 | -2.765182894000000e+01 | 1.000000000000000e-04 | 1.699999998550084e-07 | PASS |
| Photon number | 5.577986660000000e-03 | 5.577987000000000e-03 | 1.000000000000000e-04 | -3.400000003761505e-10 | PASS |
| Photon exchange | 1.066942000000000e-02 | 1.066942060000000e-02 | 1.000000000000000e-04 | -5.999999993372418e-10 | PASS |