Input 01-quadratic_box.04-spin_polarized.inp
Commits >
Commit 701869cc1eb5c6c77a64efba9e1ed1058e4204f9 >
Run autotools_foss_mpi_omp: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Total energy | 7.759249940000000e+00 | 7.759258320000000e+00 | 2.000000000000000e-05 | -8.379999999696963e-06 | PASS |