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 |
-2.732355700000000e+01 |
-2.732355750000000e+01 |
1.370000000000000e-06 |
4.999999987376214e-07 |
PASS |
| Eigenvalue 3 |
-2.639772600000000e+01 |
-2.639772700000000e+01 |
1.320000000000000e-05 |
1.000000001027956e-06 |
PASS |
| Eigenvalue 5 |
-1.720008700000000e+01 |
-1.720000000000000e+01 |
8.600000000000000e-01 |
-8.700000000061436e-05 |
PASS |
| Eigenvalue 7 |
-1.573143800000000e+01 |
-1.573143800000000e+01 |
7.869999999999999e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 9 |
-1.471141900000000e+01 |
-1.471141900000000e+01 |
7.360000000000000e-06 |
1.776356839400250e-15 |
PASS |
| Eigenvalue 11 |
-1.466926900000000e+01 |
-1.466926900000000e+01 |
7.330000000000000e-06 |
-1.776356839400250e-15 |
PASS |
| Eigenvalue 13 |
-1.388612900000000e+01 |
-1.388613000000000e+01 |
6.940000000000001e-05 |
9.999999992515995e-07 |
PASS |
| Eigenvalue 15 |
-1.356827100000000e+01 |
-1.356827100000000e+01 |
1.360000000000000e-13 |
1.776356839400250e-15 |
PASS |
| <Sz> 1 |
5.000000000000000e-01 |
5.000000000000000e-01 |
2.500000000000000e+00 |
0.000000000000000e+00 |
PASS |
| <Sz> 3 |
5.000000000000000e-01 |
5.000000000000000e-01 |
2.500000000000000e+00 |
0.000000000000000e+00 |
PASS |
| <Sz> 5 |
4.758000000000000e-01 |
4.758000000000000e-01 |
2.380000000000000e-03 |
0.000000000000000e+00 |
PASS |
| <Sz> 7 |
1.323000000000000e-01 |
1.323000000000000e-01 |
6.610000000000000e-04 |
0.000000000000000e+00 |
PASS |
| <Sz> 9 |
-8.790000000000001e-02 |
-8.790000000000001e-02 |
4.400000000000000e-03 |
0.000000000000000e+00 |
PASS |
| <Sz> 11 |
1.287000000000000e-01 |
1.287000000000000e-01 |
6.440000000000000e-04 |
0.000000000000000e+00 |
PASS |
| <Sz> 13 |
-1.043000000000000e-01 |
-1.043000000000000e-01 |
5.220000000000000e-04 |
0.000000000000000e+00 |
PASS |
| <Sz> 15 |
4.552000000000000e-01 |
4.552000000000000e-01 |
2.280000000000000e-03 |
0.000000000000000e+00 |
PASS |
| Force |
-1.489000320000000e+00 |
-1.489002300000000e+00 |
3.550000000000000e-06 |
1.979999999957016e-06 |
PASS |