Input 05-ks_inversion.01-target_density.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
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 | 6.874850043944070e-15 | 7.088584562382500e-15 | 1.000000000000000e-04 | -2.137345184384297e-16 | PASS |
| Density value 2 | 8.869699300030570e-01 | 8.869699063237690e-01 | 1.000000000000000e-04 | 2.367928797486485e-08 | PASS |