Input 15-oep-CG.02-oep-dens.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
0.000000000000000e+00 |
1.000000000000000e+00 |
2.430000000000000e-05 |
-1.000000000000000e+00 |
FAIL |
| Total energy |
-4.890965765000000e+01 |
-4.910918412000000e+01 |
1.350000000000000e-06 |
1.995264700000021e-01 |
FAIL |
| eigenvalue 1 up |
-5.814519000000000e+00 |
-5.823296000000000e+00 |
4.670000000000000e-05 |
8.777000000000257e-03 |
FAIL |
| eigenvalue 1 dn |
-5.799294000000000e+00 |
-5.823296000000000e+00 |
4.670000000000000e-05 |
2.400200000000030e-02 |
FAIL |
| eigenvalue 5 up |
-4.801240000000000e-01 |
-4.875500000000000e-01 |
2.440000000000000e-04 |
7.425999999999988e-03 |
FAIL |
| eigenvalue 5 dn |
-4.830480000000000e-01 |
-4.875500000000000e-01 |
2.440000000000000e-04 |
4.502000000000006e-03 |
FAIL |