Input 05-ks_inversion.01-target_density.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density value 1 | 6.830676762763020e-15 | 7.088584562382500e-15 | 1.000000000000000e-04 | -2.579077996194802e-16 | PASS |
| Density value 2 | 8.869699275133340e-01 | 8.869699063237690e-01 | 1.000000000000000e-04 | 2.118956499153057e-08 | PASS |