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 |
-2.238750000000000e-01 |
-2.238950000000000e-01 |
1.000000000000000e-04 |
2.000000000002000e-05 |
PASS |
| Eigenvalue 2 up |
-3.330400000000000e-02 |
-3.331900000000000e-02 |
1.000000000000000e-04 |
1.500000000000112e-05 |
PASS |
| Eigenvalue 3 up |
-2.526500000000000e-02 |
-2.527900000000000e-02 |
1.000000000000000e-04 |
1.400000000000012e-05 |
PASS |
| Eigenvalue 4 up |
-1.543100000000000e-02 |
-1.544600000000000e-02 |
1.000000000000000e-04 |
1.499999999999939e-05 |
PASS |
| Eigenvalue 1 dn |
-2.695110000000000e-01 |
-2.695330000000000e-01 |
1.000000000000000e-04 |
2.200000000002200e-05 |
PASS |
| Eigenvalue 2 dn |
-7.733100000000000e-02 |
-7.734600000000000e-02 |
1.000000000000000e-04 |
1.500000000000112e-05 |
PASS |
| Eigenvalue 3 dn |
-6.845900000000001e-02 |
-6.847399999999999e-02 |
1.000000000000000e-04 |
1.499999999998725e-05 |
PASS |
| Eigenvalue 4 dn |
-5.945800000000000e-02 |
-5.947300000000000e-02 |
1.000000000000000e-04 |
1.500000000000112e-05 |
PASS |
| Total energy |
-1.926205140000000e+00 |
-1.926276920000000e+00 |
1.000000000000000e-04 |
7.178000000007678e-05 |
PASS |
| Free energy |
-1.944787260000000e+00 |
-1.944858610000000e+00 |
1.000000000000000e-04 |
7.135000000002556e-05 |
PASS |
| Fermi energy |
-7.658300000000000e-02 |
-7.659800000000000e-02 |
1.000000000000000e-04 |
1.500000000000112e-05 |
PASS |