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 |
-1.497222920000000e+01 |
-1.497224947000000e+01 |
7.490000000000000e-13 |
2.026999999849011e-05 |
FAIL |
| Exchange energy |
-2.515657850000000e+00 |
-2.515659120000000e+00 |
1.260000000000000e-07 |
1.269999999831128e-06 |
FAIL |
| Eigenvalue [1 up] |
-8.864890000000000e-01 |
-8.864980000000000e-01 |
4.430000000000000e-05 |
9.000000000036756e-06 |
PASS |
| Eigenvalue [1 dn] |
-1.053304000000000e+00 |
-1.053298000000000e+00 |
5.270000000000000e-06 |
-5.999999999950489e-06 |
FAIL |
| Eigenvalue [4 up] |
-4.583110000000000e-01 |
-4.583160000000000e-01 |
2.290000000000000e-05 |
4.999999999977245e-06 |
PASS |
| Eigenvalue [4 dn] |
-6.145490000000000e-01 |
-6.145420000000000e-01 |
3.070000000000000e-05 |
-6.999999999979245e-06 |
PASS |