Input 03-magnetic.01-gs-unpolarized.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 |
-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 |
-1.912160310000000e+00 |
-1.912211640000000e+00 |
1.000000000000000e-04 |
5.133000000001608e-05 |
PASS |
| Free energy |
-1.937303520000000e+00 |
-1.937354930000000e+00 |
1.000000000000000e-04 |
5.140999999997398e-05 |
PASS |
| Fermi energy |
-6.600900000000000e-02 |
-6.601500000000000e-02 |
1.000000000000000e-04 |
6.000000000006001e-06 |
PASS |