Input 03-magnetic.01-gs-unpolarized.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue 1 | -2.484110000000000e-01 | -2.484260000000000e-01 | 1.000000000000000e-04 | 1.500000000001500e-05 | PASS |
| Eigenvalue 2 | -5.693200000000000e-02 | -5.693900000000000e-02 | 1.000000000000000e-04 | 6.999999999993123e-06 | PASS |
| Eigenvalue 3 | -4.860400000000000e-02 | -4.861100000000000e-02 | 1.000000000000000e-04 | 7.000000000000062e-06 | PASS |
| Eigenvalue 4 | -3.905900000000000e-02 | -3.906500000000000e-02 | 1.000000000000000e-04 | 5.999999999999062e-06 | PASS |
| Total energy | -1.912160260000000e+00 | -1.912211640000000e+00 | 1.000000000000000e-04 | 5.137999999993426e-05 | PASS |
| Free energy | -1.937303470000000e+00 | -1.937354930000000e+00 | 1.000000000000000e-04 | 5.145999999989215e-05 | PASS |
| Fermi energy | -6.600900000000000e-02 | -6.601500000000000e-02 | 1.000000000000000e-04 | 6.000000000006001e-06 | PASS |