Input 15-oep-CG.02-oep-dens.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
2.430000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Total energy |
-4.910918313000000e+01 |
-4.910918412000000e+01 |
1.350000000000000e-06 |
9.900000037532664e-07 |
PASS |
| eigenvalue 1 up |
-5.823253000000000e+00 |
-5.823296000000000e+00 |
4.670000000000000e-05 |
4.299999999979320e-05 |
PASS |
| eigenvalue 1 dn |
-5.823253000000000e+00 |
-5.823296000000000e+00 |
4.670000000000000e-05 |
4.299999999979320e-05 |
PASS |
| eigenvalue 5 up |
-4.875600000000000e-01 |
-4.875500000000000e-01 |
2.440000000000000e-04 |
-1.000000000001000e-05 |
PASS |
| eigenvalue 5 dn |
-4.875600000000000e-01 |
-4.875500000000000e-01 |
2.440000000000000e-04 |
-1.000000000001000e-05 |
PASS |