Input 08-spin_orbit_coupling_full.03-unocc.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Eigenvalue 11 |
-1.046700000000000e-01 |
-1.471055700000000e+01 |
7.360000000000000e-06 |
1.460588700000000e+01 |
FAIL |
| Eigenvalue 13 |
-1.992600000000000e-02 |
-1.390278900000000e+01 |
6.950000000000000e-06 |
1.388286300000000e+01 |
FAIL |
| Eigenvalue 15 |
3.167000000000000e-03 |
-1.353787400000000e+01 |
6.770000000000000e-06 |
1.354104100000000e+01 |
FAIL |
| Eigenvalue 16 |
1.087700000000000e-02 |
-1.293229800000000e+01 |
6.470000000000000e-06 |
1.294317500000000e+01 |
FAIL |
| Eigenvalue 17 |
1.782300000000000e-02 |
-5.035163000000001e+00 |
2.520000000000000e-05 |
5.052986000000001e+00 |
FAIL |
| Eigenvalue 18 |
3.446900000000000e-02 |
-4.974504000000000e+00 |
2.490000000000000e-14 |
5.008973000000000e+00 |
FAIL |
| Eigenvalue 19 |
6.954299999999999e-02 |
-4.127237000000000e+00 |
2.060000000000000e-05 |
4.196780000000000e+00 |
FAIL |
| Eigenvalue 20 |
6.941740000000000e-01 |
-4.116129000000000e+00 |
2.060000000000000e-05 |
4.810303000000000e+00 |
FAIL |
| <Sz> 11 |
-1.100000000000000e-03 |
1.300000000000000e-01 |
6.500000000000000e-02 |
-1.311000000000000e-01 |
FAIL |
| <Sz> 13 |
-3.000000000000000e-04 |
-1.012000000000000e-01 |
5.060000000000000e-04 |
1.009000000000000e-01 |
FAIL |
| <Sz> 15 |
0.000000000000000e+00 |
4.557000000000000e-01 |
2.280000000000000e-03 |
-4.557000000000000e-01 |
FAIL |
| <Sz> 16 |
1.000000000000000e-04 |
-4.671000000000000e-01 |
2.340000000000000e-03 |
4.672000000000000e-01 |
FAIL |
| <Sz> 17 |
-3.000000000000000e-04 |
5.000000000000000e-01 |
2.500000000000000e+00 |
-5.003000000000000e-01 |
PASS |
| <Sz> 18 |
1.600000000000000e-03 |
-5.000000000000000e-01 |
2.500000000000000e+00 |
5.016000000000000e-01 |
PASS |
| <Sz> 19 |
4.000000000000000e-04 |
4.526000000000000e-01 |
2.260000000000000e-03 |
-4.522000000000000e-01 |
FAIL |
| <Sz> 20 |
-8.000000000000000e-04 |
4.675000000000000e-01 |
2.340000000000000e-03 |
-4.683000000000000e-01 |
FAIL |