Input 14-quadrupole-pot.01-hydrogen-gs.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 4.000000000000000e-08 | 0.000000000000000e+00 | PASS |
| Total energy | -4.897494900000000e-01 | -4.897494800000000e-01 | 5.000000000000000e-07 | -9.999999994736442e-09 | PASS |
| Eigenvalue 1 | -4.897490000000000e-01 | -4.897490000000000e-01 | 1.000000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 2 | -3.753600000000000e-02 | -3.753600000000000e-02 | 1.000000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 | -3.753600000000000e-02 | -3.753600000000000e-02 | 1.000000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 4 | 1.936000000000000e-03 | 1.936000000000000e-03 | 1.000000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 5 | 4.379600000000000e-02 | 4.379600000000000e-02 | 1.000000000000000e-06 | 0.000000000000000e+00 | PASS |