Input 08-spin_orbit_coupling_full.03-unocc.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Eigenvalue 11 |
-1.531675700000000e+01 |
-1.471055700000000e+01 |
7.360000000000000e-06 |
-6.062000000000012e-01 |
FAIL |
| Eigenvalue 13 |
-1.329801600000000e+01 |
-1.390278900000000e+01 |
6.950000000000000e-06 |
6.047729999999980e-01 |
FAIL |
| Eigenvalue 15 |
-3.239892000000000e+00 |
-1.353787400000000e+01 |
6.770000000000000e-06 |
1.029798200000000e+01 |
FAIL |
| Eigenvalue 16 |
-3.595850000000000e-01 |
-1.293229800000000e+01 |
6.470000000000000e-06 |
1.257271300000000e+01 |
FAIL |
| Eigenvalue 17 |
1.126000000000000e-03 |
-5.035163000000001e+00 |
2.520000000000000e-05 |
5.036289000000001e+00 |
FAIL |
| Eigenvalue 18 |
4.201000000000000e-03 |
-4.974504000000000e+00 |
2.490000000000000e-14 |
4.978705000000001e+00 |
FAIL |
| Eigenvalue 19 |
2.044200000000000e-02 |
-4.127237000000000e+00 |
2.060000000000000e-05 |
4.147679000000000e+00 |
FAIL |
| Eigenvalue 20 |
3.075725100000000e+01 |
-4.116129000000000e+00 |
2.060000000000000e-05 |
3.487338000000000e+01 |
FAIL |
| <Sz> 11 |
-4.760000000000000e-02 |
1.300000000000000e-01 |
6.500000000000000e-02 |
-1.776000000000000e-01 |
FAIL |
| <Sz> 13 |
-2.970000000000000e-02 |
-1.012000000000000e-01 |
5.060000000000000e-04 |
7.149999999999999e-02 |
FAIL |
| <Sz> 15 |
9.379999999999999e-02 |
4.557000000000000e-01 |
2.280000000000000e-03 |
-3.619000000000000e-01 |
FAIL |
| <Sz> 16 |
3.000000000000000e-03 |
-4.671000000000000e-01 |
2.340000000000000e-03 |
4.701000000000000e-01 |
FAIL |
| <Sz> 17 |
-1.000000000000000e-04 |
5.000000000000000e-01 |
2.500000000000000e+00 |
-5.001000000000000e-01 |
PASS |
| <Sz> 18 |
0.000000000000000e+00 |
-5.000000000000000e-01 |
2.500000000000000e+00 |
5.000000000000000e-01 |
PASS |
| <Sz> 19 |
0.000000000000000e+00 |
4.526000000000000e-01 |
2.260000000000000e-03 |
-4.526000000000000e-01 |
FAIL |
| <Sz> 20 |
-2.340000000000000e-02 |
4.675000000000000e-01 |
2.340000000000000e-03 |
-4.909000000000000e-01 |
FAIL |