Input 02-neon_mpi.01-ground_state-IP_par_domains.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 | -8.755795350000000e+01 | -8.755795211000000e+01 | 1.000000000000000e-04 | -1.389999994216851e-06 | PASS |
| Eigenvalue 5 | -3.987813000000000e+00 | -3.987813000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue 6 | -3.088058000000000e+00 | -3.088058000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |