Input 17-oep-photons.03-oep.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-15 | 0.000000000000000e+00 | PASS |
| Total Energy | -4.896065632000000e+01 | -4.896186165500000e+01 | 3.300000000000000e-02 | 1.205335000001639e-03 | PASS |
| Eigenvalue 1 | -5.805613000000000e+00 | -5.805986499999999e+00 | 4.000000000000000e-03 | 3.734999999993605e-04 | PASS |
| Eigenvalue 5 | -4.063960000000000e-01 | -4.064060000000000e-01 | 3.000000000000000e-04 | 1.000000000006551e-05 | PASS |
| Photon number | 1.126480700000000e-02 | 1.126977165000000e-02 | 2.000000000000000e-04 | -4.964649999999668e-06 | PASS |
| Photon exchange | 6.904690000000000e-03 | 6.905030000000000e-03 | 1.100000000000000e-05 | -3.399999999997155e-07 | PASS |