Input 15-oep-CG.01-kli.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 |
-4.910737136000000e+01 |
-4.910737136000000e+01 |
2.460000000000000e-07 |
0.000000000000000e+00 |
PASS |
| eigenvalue 1 up |
-5.801675000000000e+00 |
-5.801674999999999e+00 |
2.900000000000000e-05 |
-8.881784197001252e-16 |
PASS |
| eigenvalue 1 dn |
-5.801675000000000e+00 |
-5.801674999999999e+00 |
2.900000000000000e-05 |
-8.881784197001252e-16 |
PASS |
| eigenvalue 5 up |
-4.857660000000000e-01 |
-4.857660000000000e-01 |
2.430000000000000e-05 |
0.000000000000000e+00 |
PASS |
| eigenvalue 5 dn |
-4.857660000000000e-01 |
-4.857660000000000e-01 |
2.430000000000000e-05 |
0.000000000000000e+00 |
PASS |