Input 35-slater_x.01-gs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Total energy |
-1.497224947000000e+01 |
-1.497224947000000e+01 |
7.490000000000000e-13 |
-1.776356839400250e-15 |
PASS |
| Exchange energy |
-2.515659120000000e+00 |
-2.515659120000000e+00 |
1.260000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [1 up] |
-8.865000000000000e-01 |
-8.864980000000000e-01 |
4.430000000000000e-05 |
-1.999999999946489e-06 |
PASS |
| Eigenvalue [1 dn] |
-1.053298000000000e+00 |
-1.053298000000000e+00 |
5.270000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [4 up] |
-4.583200000000000e-01 |
-4.583160000000000e-01 |
2.290000000000000e-05 |
-4.000000000004000e-06 |
PASS |
| Eigenvalue [4 dn] |
-6.145440000000000e-01 |
-6.145420000000000e-01 |
3.070000000000000e-05 |
-1.999999999946489e-06 |
PASS |