Input 08-sternheimer-photons.01-gs.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total energy | -2.191554590000000e+00 | -2.191554890000000e+00 | 1.000000000000000e-04 | 2.999999999531155e-07 | PASS |
| HOMO | -4.593750000000000e-01 | -4.593750000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |