Input 06-restart.01-gs_mixrho.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 |
| Eigenvalue [up] | -5.003100000000000e-02 | -5.005500000000001e-02 | 2.500000000000000e-05 | 2.400000000001012e-05 | PASS |
| Eigenvalue [dn] | -8.638400000000000e-02 | -8.641300000000000e-02 | 4.320000000000000e-05 | 2.900000000000125e-05 | PASS |