| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-03 |
0.000000000000000e+00 |
PASS |
| dHF converged energy |
-7.805470438200000e-01 |
-7.805470438150000e-01 |
1.000000000000000e-08 |
-5.000000413701855e-12 |
PASS |
| dHF highest occupation number |
2.000000000000000e+00 |
2.000000000000000e+00 |
1.000000000000000e-08 |
0.000000000000000e+00 |
PASS |
| dHF total mode occupation |
6.669066536300000e-02 |
6.669029538700000e-02 |
1.100000000000000e-06 |
3.699760000031027e-07 |
PASS |