Input 03-magnetic.03-gs-polarized.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cuda_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 |
| Eigenvalue 1 up | -2.238800000000000e-01 | -2.238800000000000e-01 | 1.120000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 2 up | -3.331300000000000e-02 | -3.331300000000000e-02 | 1.670000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 up | -2.527300000000000e-02 | -2.527300000000000e-02 | 1.260000000000000e-05 | 3.469446951953614e-18 | PASS |
| Eigenvalue 4 up | -1.544000000000000e-02 | -1.544000000000000e-02 | 7.720000000000001e-05 | 1.734723475976807e-18 | PASS |
| Eigenvalue 1 dn | -2.695170000000000e-01 | -2.695170000000000e-01 | 1.350000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 2 dn | -7.734000000000001e-02 | -7.734000000000001e-02 | 3.870000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 dn | -6.846800000000000e-02 | -6.846800000000000e-02 | 3.420000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 4 dn | -5.946700000000000e-02 | -5.946700000000001e-02 | 2.970000000000000e-05 | 6.938893903907228e-18 | PASS |
| Total energy | -1.926221440000000e+00 | -1.926223000000000e+00 | 1.590000000000000e-06 | 1.560000000067063e-06 | PASS |
| Free energy | -1.944803560000000e+00 | -1.944805060000000e+00 | 1.590000000000000e-06 | 1.499999999987622e-06 | PASS |
| Fermi energy | -7.659199999999999e-02 | -7.659199999999999e-02 | 7.660000000000000e-16 | 0.000000000000000e+00 | PASS |