Input 17-oep-photons.01-kli-spinpolarized.inp
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run foss_cuda_autotools: [foss2022a-cuda-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 | -4.855795848000000e+01 | -4.855795852000000e+01 | 1.000000000000000e-04 | 3.999999620418748e-08 | PASS |
| Eigenvalues energy | -2.765182883000000e+01 | -2.765182894000000e+01 | 1.000000000000000e-04 | 1.100000019960135e-07 | PASS |
| Photon number | 5.577986640000000e-03 | 5.577987000000000e-03 | 1.000000000000000e-04 | -3.600000002962345e-10 | PASS |
| Photon exchange | 1.066942000000000e-02 | 1.066942060000000e-02 | 1.000000000000000e-04 | -5.999999993372418e-10 | PASS |