Input 35-slater_x.02-gs_spinors.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
3.070000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Total energy |
-1.497225313000000e+01 |
-1.497225313000000e+01 |
7.490000000000000e-08 |
-1.776356839400250e-15 |
PASS |
| Exchange energy |
-2.515659120000000e+00 |
-2.515659120000000e+00 |
1.260000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [1] |
-1.053302000000000e+00 |
-1.053301000000000e+00 |
5.270000000000000e-06 |
-9.999999999177334e-07 |
PASS |
| Sx [1] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Sy [1] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Sz [1] |
-5.000000000000000e-01 |
-5.000000000000000e-01 |
2.500000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [4] |
-6.145480000000000e-01 |
-6.145460000000000e-01 |
3.070000000000000e-05 |
-1.999999999946489e-06 |
PASS |
| Sx [4] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Sy [4] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Sz [4] |
-5.000000000000000e-01 |
-5.000000000000000e-01 |
2.500000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [6] |
-4.583200000000000e-01 |
-4.583160000000000e-01 |
2.290000000000000e-05 |
-4.000000000004000e-06 |
PASS |
| Sx [6] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Sy [6] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Sz [4] |
-5.000000000000000e-01 |
-5.000000000000000e-01 |
2.500000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Sz [6] |
5.000000000000000e-01 |
5.000000000000000e-01 |
2.500000000000000e-05 |
0.000000000000000e+00 |
PASS |