Input 05-ks_inversion.01-target_density.inp
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss_cmake: [foss2023a-mpi, foss-full-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 | 6.823117246606580e-15 | 7.088584562382500e-15 | 1.000000000000000e-04 | -2.654673157759201e-16 | PASS |
| Density value 2 | 8.869699281298510e-01 | 8.869699063237690e-01 | 1.000000000000000e-04 | 2.180608194013445e-08 | PASS |