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 |
-2.702202200000000e+01 |
-2.702202100000000e+01 |
1.350000000000000e-05 |
-9.999999974752427e-07 |
PASS |
| Eigenvalue 3 |
-2.609543800000000e+01 |
-2.609543800000000e+01 |
1.300000000000000e-05 |
-3.552713678800501e-15 |
PASS |
| Eigenvalue 5 |
-1.691935900000000e+01 |
-1.691935800000000e+01 |
8.460000000000000e-06 |
-9.999999974752427e-07 |
PASS |
| Eigenvalue 7 |
-1.543482600000000e+01 |
-1.543482500000000e+01 |
7.720000000000001e-06 |
-9.999999992515995e-07 |
PASS |
| Eigenvalue 9 |
-1.440592200000000e+01 |
-1.440592200000000e+01 |
7.200000000000000e-06 |
-1.776356839400250e-15 |
PASS |
| Eigenvalue 11 |
-1.438522500000000e+01 |
-1.438522500000000e+01 |
7.190000000000000e-06 |
-1.776356839400250e-15 |
PASS |
| Eigenvalue 13 |
-1.359864000000000e+01 |
-1.359863900000000e+01 |
6.800000000000000e-06 |
-9.999999974752427e-07 |
PASS |
| Eigenvalue 15 |
-1.327130200000000e+01 |
-1.327130100000000e+01 |
6.640000000000000e-06 |
-1.000000001027956e-06 |
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 |
4.760000000000000e-01 |
4.759000000000000e-01 |
2.380000000000000e-03 |
9.999999999998899e-05 |
PASS |
| <Sz> 7 |
1.330000000000000e-01 |
1.330000000000000e-01 |
6.650000000000000e-03 |
0.000000000000000e+00 |
PASS |
| <Sz> 9 |
-8.820000000000000e-02 |
-8.820000000000000e-02 |
4.410000000000000e-03 |
0.000000000000000e+00 |
PASS |
| <Sz> 11 |
1.287000000000000e-01 |
1.290000000000000e-01 |
6.450000000000000e-03 |
-2.999999999999947e-04 |
PASS |
| <Sz> 13 |
-1.044000000000000e-01 |
-1.046000000000000e-01 |
5.230000000000000e-04 |
1.999999999999919e-04 |
PASS |
| <Sz> 15 |
4.549000000000000e-01 |
4.555000000000000e-01 |
2.280000000000000e-03 |
-5.999999999999894e-04 |
PASS |
| Force |
-1.267779080000000e+00 |
-1.267780740000000e+00 |
2.030000000000000e-06 |
1.659999999903405e-06 |
PASS |