Input 06-restart.03-gs_mixvhxc.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 | 4.270000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue [up] | -4.001100000000000e-02 | -4.002000000000000e-02 | 2.000000000000000e-04 | 9.000000000002062e-06 | PASS |
| Eigenvalue [dn] | -7.291599999999999e-02 | -7.291499999999999e-02 | 3.650000000000000e-05 | -1.000000000001000e-06 | PASS |