Input 43-gga_spinors.01-H.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Total energy |
-4.964712400000000e-01 |
-4.964712800000000e-01 |
2.480000000000000e-07 |
4.000000003445692e-08 |
PASS |
| Eigenvalue 1 |
-2.736920000000000e-01 |
-2.736920000000000e-01 |
1.370000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 3 |
1.846790000000000e-01 |
1.846540000000000e-01 |
2.750000000000000e-05 |
2.499999999999725e-05 |
PASS |
| <Sx> 1 |
5.000000000000000e-01 |
5.000000000000000e-01 |
2.500000000000000e-05 |
0.000000000000000e+00 |
PASS |
| <Sy> 1 |
0.000000000000000e+00 |
0.000000000000000e+00 |
2.500000000000000e-05 |
0.000000000000000e+00 |
PASS |
| <Sz> 1 |
0.000000000000000e+00 |
0.000000000000000e+00 |
2.500000000000000e-05 |
0.000000000000000e+00 |
PASS |
| <Sx> 1 |
5.000000000000000e-01 |
5.000000000000000e-01 |
2.500000000000000e-05 |
0.000000000000000e+00 |
PASS |
| <Sy> 1 |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.980000000000000e-03 |
0.000000000000000e+00 |
PASS |
| <Sz> 1 |
0.000000000000000e+00 |
0.000000000000000e+00 |
2.310000000000000e-03 |
0.000000000000000e+00 |
PASS |