Input 07-spin_orbit_coupling.01-hgh.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 1 |
-2.731558000000000e+01 |
-2.731558000000000e+01 |
1.370000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 3 |
-2.638732400000000e+01 |
-2.638732400000000e+01 |
1.320000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 5 |
-1.720531300000000e+01 |
-1.720531200000000e+01 |
8.600000000000001e-06 |
-1.000000001027956e-06 |
PASS |
| Eigenvalue 7 |
-1.574005600000000e+01 |
-1.574005600000000e+01 |
7.869999999999999e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 9 |
-1.472349200000000e+01 |
-1.472349200000000e+01 |
7.360000000000000e-06 |
-1.776356839400250e-15 |
PASS |
| Eigenvalue 11 |
-1.468035000000000e+01 |
-1.468035000000000e+01 |
7.340000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 13 |
-1.389958100000000e+01 |
-1.389958100000000e+01 |
6.950000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 15 |
-1.357911300000000e+01 |
-1.357911300000000e+01 |
6.790000000000000e-06 |
1.776356839400250e-15 |
PASS |
| <Sz> 1 |
5.000000000000000e-01 |
5.000000000000000e-01 |
2.500000000000000e-05 |
0.000000000000000e+00 |
PASS |
| <Sz> 3 |
5.000000000000000e-01 |
5.000000000000000e-01 |
2.500000000000000e-05 |
0.000000000000000e+00 |
PASS |
| <Sz> 5 |
4.759000000000000e-01 |
4.759000000000000e-01 |
2.380000000000000e-03 |
0.000000000000000e+00 |
PASS |
| <Sz> 7 |
1.324000000000000e-01 |
1.324000000000000e-01 |
6.620000000000000e-06 |
0.000000000000000e+00 |
PASS |
| <Sz> 9 |
-8.820000000000000e-02 |
-8.820000000000000e-02 |
4.410000000000000e-03 |
0.000000000000000e+00 |
PASS |
| <Sz> 11 |
1.290000000000000e-01 |
1.290000000000000e-01 |
6.450000000000000e-03 |
0.000000000000000e+00 |
PASS |
| <Sz> 13 |
-1.046000000000000e-01 |
-1.046000000000000e-01 |
5.230000000000000e-04 |
0.000000000000000e+00 |
PASS |
| <Sz> 15 |
4.555000000000000e-01 |
4.555000000000000e-01 |
2.280000000000000e-03 |
0.000000000000000e+00 |
PASS |
| Force |
-1.495337630000000e+00 |
-1.495336500000000e+00 |
2.330000000000000e-06 |
-1.130000000237885e-06 |
PASS |