Name |
Value |
Reference |
Precision |
Difference |
Status |
SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
Hartree-Fock energy Total |
-7.075775000000000e-01 |
-7.075695600000000e-01 |
8.729999999999999e-06 |
-7.939999999928560e-06 |
PASS |
Hartree-Fock eigenvalue up |
-1.128660000000000e+00 |
-1.128664000000000e+00 |
4.400000000000000e-06 |
4.000000000115023e-06 |
PASS |
Hartree-Fock eigenvalue dn |
-6.834480000000001e-01 |
-6.834740000000000e-01 |
2.860000000000000e-05 |
2.599999999997049e-05 |
PASS |
Hartree-Fock Correlation |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
Hartree-Fock Correlation |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |