Input 05-ks_inversion.01-target_density.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-cmake-zen4: [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 | 6.846760626528130e-15 | 7.088584562382500e-15 | 1.000000000000000e-04 | -2.418239358543700e-16 | PASS |
| Density value 2 | 8.869699296092860e-01 | 8.869699063237690e-01 | 1.000000000000000e-04 | 2.328551695907066e-08 | PASS |