Input 03-xc.b3lyp_fock.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| B3LYP Fock Eigenvalue up |
-9.746810000000000e-01 |
-1.019171000000000e+00 |
3.630000000000000e-05 |
4.449000000000003e-02 |
FAIL |
| B3LYP Fock Eigenvalue dn |
-5.753430000000000e-01 |
-8.379245000000000e-01 |
3.910000000000000e-05 |
2.625814999999999e-01 |
FAIL |
| B3LYP Fock Correlation |
0.000000000000000e+00 |
-2.734403300000000e-01 |
3.280000000000000e-06 |
2.734403300000000e-01 |
FAIL |
| B3LYP Fock Int[n*v_xc] |
0.000000000000000e+00 |
-3.479046950000000e-01 |
4.190000000000000e-06 |
3.479046950000000e-01 |
FAIL |
| B3LYP Fock Total |
-3.402102800000000e-01 |
-5.764007400000000e-01 |
1.810000000000000e-05 |
2.361904600000000e-01 |
FAIL |