Input 07-user_def_box.01-gs.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 | 2.385879700000000e-01 | 2.385879700000000e-01 | 2.000000000000000e-07 | 0.000000000000000e+00 | PASS |
| Eigenvalue | 2.385880000000000e-01 | 2.385880000000000e-01 | 2.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Dipole x | -1.950440000000000e+00 | -1.950440000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Dipole y | 1.950440000000000e+00 | 1.950440000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |