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 |
-2.484040000000000e-01 |
-2.484260000000000e-01 |
1.000000000000000e-04 |
2.199999999999425e-05 |
PASS |
| Eigenvalue 2 |
-5.692400000000000e-02 |
-5.693900000000000e-02 |
1.000000000000000e-04 |
1.499999999999418e-05 |
PASS |
| Eigenvalue 3 |
-4.859600000000000e-02 |
-4.861100000000000e-02 |
1.000000000000000e-04 |
1.500000000000112e-05 |
PASS |
| Eigenvalue 4 |
-3.905100000000000e-02 |
-3.906500000000000e-02 |
1.000000000000000e-04 |
1.400000000000012e-05 |
PASS |
| Total energy |
-1.912141040000000e+00 |
-1.912211640000000e+00 |
1.000000000000000e-04 |
7.059999999992073e-05 |
PASS |
| Free energy |
-1.937284250000000e+00 |
-1.937354930000000e+00 |
1.000000000000000e-04 |
7.067999999987862e-05 |
PASS |
| Fermi energy |
-6.600100000000000e-02 |
-6.601500000000000e-02 |
1.000000000000000e-04 |
1.400000000000012e-05 |
PASS |