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 |
-2.238800000000000e-01 |
1.120000000000000e-05 |
-1.000000000001000e-06 |
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 |
-2.695180000000000e-01 |
-2.695170000000000e-01 |
1.350000000000000e-05 |
-9.999999999732445e-07 |
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 |
-1.926224380000000e+00 |
-1.926223000000000e+00 |
1.590000000000000e-06 |
-1.380000000050785e-06 |
PASS |
| Free energy |
-1.944806490000000e+00 |
-1.944805060000000e+00 |
1.590000000000000e-06 |
-1.429999999968956e-06 |
PASS |
| Fermi energy |
-7.659199999999999e-02 |
-7.659199999999999e-02 |
7.660000000000000e-16 |
0.000000000000000e+00 |
PASS |