Input 17-oep-photons.01-kli-spinpolarized.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
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 | -4.855795854000000e+01 | -4.855795852000000e+01 | 1.000000000000000e-04 | -2.000000165480742e-08 | PASS |
| Eigenvalues energy | -2.765182891000000e+01 | -2.765182894000000e+01 | 1.000000000000000e-04 | 3.000000248221113e-08 | PASS |
| Photon number | 5.577986280000000e-03 | 5.577987000000000e-03 | 1.000000000000000e-04 | -7.200000005924689e-10 | PASS |
| Photon exchange | 1.066942000000000e-02 | 1.066942060000000e-02 | 1.000000000000000e-04 | -5.999999993372418e-10 | PASS |