Input 05-ks_inversion.01-target_density.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-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 | 6.829759188308920e-15 | 7.088584562382500e-15 | 1.000000000000000e-04 | -2.588253740735802e-16 | PASS |
| Density value 2 | 8.869699295184240e-01 | 8.869699063237690e-01 | 1.000000000000000e-04 | 2.319465497446771e-08 | PASS |