Input 03-xc.pbe0_fock.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| PBE0 Fock Eigenvalue up |
-1.474090000000000e+00 |
-1.024722000000000e+00 |
3.410000000000000e-05 |
-4.493679999999998e-01 |
FAIL |
| PBE0 Fock Eigenvalue dn |
-9.199410000000000e-01 |
-8.208640000000000e-01 |
3.850000000000000e-05 |
-9.907699999999997e-02 |
FAIL |
| PBE0 Fock Correlation |
-2.521343800000000e-01 |
-2.521371850000000e-01 |
3.100000000000000e-06 |
2.804999999994617e-06 |
PASS |
| PBE0 Fock Int[n*v_xc] |
-3.236422300000000e-01 |
-3.236457000000000e-01 |
3.840000000000000e-06 |
3.470000000005413e-06 |
PASS |
| PBE0 Fock Total |
-9.597119000000000e-01 |
-5.803856600000000e-01 |
1.640000000000000e-05 |
-3.793262399999999e-01 |
FAIL |