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 |
-2.700625500000000e+01 |
-2.700625600000000e+01 |
1.350000000000000e-05 |
1.000000001027956e-06 |
PASS |
| Eigenvalue 3 |
-2.613156500000000e+01 |
-2.613156500000000e+01 |
1.310000000000000e-05 |
3.552713678800501e-15 |
PASS |
| Eigenvalue 5 |
-1.703973000000000e+01 |
-1.703973000000000e+01 |
8.520000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 7 |
-1.538332500000000e+01 |
-1.538332600000000e+01 |
7.689999999999999e-06 |
1.000000001027956e-06 |
PASS |
| Eigenvalue 9 |
-1.429514800000000e+01 |
-1.429514800000000e+01 |
7.150000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 11 |
-1.426143500000000e+01 |
-1.426143600000000e+01 |
7.130000000000000e-06 |
9.999999992515995e-07 |
PASS |
| Eigenvalue 13 |
-1.345454300000000e+01 |
-1.345454300000000e+01 |
6.730000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 15 |
-1.334193300000000e+01 |
-1.334193400000000e+01 |
6.670000000000000e-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 |
4.771000000000000e-01 |
4.759000000000000e-01 |
2.380000000000000e-03 |
1.200000000000034e-03 |
PASS |
| <Sz> 7 |
1.388000000000000e-01 |
1.330000000000000e-01 |
6.650000000000000e-03 |
5.800000000000000e-03 |
PASS |
| <Sz> 9 |
1.213000000000000e-01 |
1.213000000000000e-01 |
6.070000000000000e-04 |
0.000000000000000e+00 |
PASS |
| <Sz> 11 |
-8.900000000000000e-02 |
-8.900000000000000e-02 |
8.900000000000001e-16 |
0.000000000000000e+00 |
PASS |
| <Sz> 13 |
-9.810000000000001e-02 |
-9.810000000000001e-02 |
9.810000000000000e-16 |
0.000000000000000e+00 |
PASS |
| <Sz> 15 |
4.421000000000000e-01 |
4.421000000000000e-01 |
2.210000000000000e-03 |
0.000000000000000e+00 |
PASS |
| Force |
-1.306000080000000e+00 |
-1.306002455000000e+00 |
2.610000000000000e-06 |
2.374999999776861e-06 |
PASS |