Input 03-magnetic.03-gs-polarized.inp
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 |
-2.238810000000000e-01 |
-2.238950000000000e-01 |
1.000000000000000e-04 |
1.400000000001400e-05 |
PASS |
| Eigenvalue 2 up |
-3.331300000000000e-02 |
-3.331900000000000e-02 |
1.000000000000000e-04 |
5.999999999999062e-06 |
PASS |
| Eigenvalue 3 up |
-2.527300000000000e-02 |
-2.527900000000000e-02 |
1.000000000000000e-04 |
5.999999999999062e-06 |
PASS |
| Eigenvalue 4 up |
-1.544000000000000e-02 |
-1.544600000000000e-02 |
1.000000000000000e-04 |
5.999999999999062e-06 |
PASS |
| Eigenvalue 1 dn |
-2.695180000000000e-01 |
-2.695330000000000e-01 |
1.000000000000000e-04 |
1.500000000004276e-05 |
PASS |
| Eigenvalue 2 dn |
-7.734000000000001e-02 |
-7.734600000000000e-02 |
1.000000000000000e-04 |
5.999999999992123e-06 |
PASS |
| Eigenvalue 3 dn |
-6.846800000000000e-02 |
-6.847399999999999e-02 |
1.000000000000000e-04 |
5.999999999992123e-06 |
PASS |
| Eigenvalue 4 dn |
-5.946700000000000e-02 |
-5.947300000000000e-02 |
1.000000000000000e-04 |
5.999999999999062e-06 |
PASS |
| Total energy |
-1.926224400000000e+00 |
-1.926276920000000e+00 |
1.000000000000000e-04 |
5.252000000011137e-05 |
PASS |
| Free energy |
-1.944806510000000e+00 |
-1.944858610000000e+00 |
1.000000000000000e-04 |
5.209999999999937e-05 |
PASS |
| Fermi energy |
-7.659199999999999e-02 |
-7.659800000000000e-02 |
1.000000000000000e-04 |
6.000000000006001e-06 |
PASS |