Input 08-spin_orbit_coupling_full.02-rkb.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Eigenvalue 1 |
-5.322613000000000e+01 |
-2.732888100000000e+01 |
1.370000000000000e-05 |
-2.589724900000000e+01 |
FAIL |
| Eigenvalue 3 |
-2.830469600000000e+01 |
-2.643841900000000e+01 |
1.320000000000000e-05 |
-1.866276999999997e+00 |
FAIL |
| Eigenvalue 5 |
-2.408598800000000e+01 |
-1.712713000000000e+01 |
8.559999999999999e-05 |
-6.958858000000003e+00 |
FAIL |
| Eigenvalue 7 |
-1.675482500000000e+01 |
-1.577903500000000e+01 |
7.890000000000001e-06 |
-9.757899999999999e-01 |
FAIL |
| Eigenvalue 9 |
-1.455977300000000e+01 |
-1.471321900000000e+01 |
7.360000000000000e-06 |
1.534459999999989e-01 |
FAIL |
| Eigenvalue 11 |
-1.325909300000000e+01 |
-1.471055700000000e+01 |
7.360000000000000e-06 |
1.451464000000000e+00 |
FAIL |
| Eigenvalue 13 |
-6.456370000000000e+00 |
-1.390279000000000e+01 |
6.950000000000000e-05 |
7.446420000000002e+00 |
FAIL |
| Eigenvalue 15 |
3.800900000000000e-02 |
-1.353787500000000e+01 |
6.770000000000000e-06 |
1.357588400000000e+01 |
FAIL |
| <Sz> 1 |
-1.130000000000000e-02 |
5.000000000000000e-01 |
2.500000000000000e+00 |
-5.113000000000000e-01 |
PASS |
| <Sz> 3 |
2.352000000000000e-01 |
5.000000000000000e-01 |
2.500000000000000e+00 |
-2.648000000000000e-01 |
PASS |
| <Sz> 5 |
-4.360000000000000e-02 |
4.713000000000000e-01 |
2.360000000000000e-03 |
-5.149000000000000e-01 |
FAIL |
| <Sz> 7 |
-1.581000000000000e-01 |
1.288000000000000e-01 |
6.440000000000000e-04 |
-2.869000000000000e-01 |
FAIL |
| <Sz> 9 |
1.081000000000000e-01 |
-8.470000000000000e-02 |
4.240000000000000e-03 |
1.928000000000000e-01 |
FAIL |
| <Sz> 11 |
-2.329000000000000e-01 |
1.300000000000000e-01 |
6.500000000000000e-02 |
-3.629000000000000e-01 |
FAIL |
| <Sz> 13 |
6.190000000000000e-02 |
-1.012000000000000e-01 |
5.060000000000000e-04 |
1.631000000000000e-01 |
FAIL |
| <Sz> 15 |
0.000000000000000e+00 |
4.557000000000000e-01 |
2.280000000000000e-03 |
-4.557000000000000e-01 |
FAIL |
| Force |
-4.427779520000000e+00 |
-6.681339680000000e-01 |
3.340000000000000e-08 |
-3.759645551999999e+00 |
FAIL |