Input 03-xc.pbe0_fock.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| PBE0 Fock Eigenvalue up |
-1.474102000000000e+00 |
-1.024722000000000e+00 |
3.410000000000000e-05 |
-4.493799999999999e-01 |
FAIL |
| PBE0 Fock Eigenvalue dn |
-9.200100000000000e-01 |
-8.208640000000000e-01 |
3.850000000000000e-05 |
-9.914599999999996e-02 |
FAIL |
| PBE0 Fock Correlation |
-2.521400300000000e-01 |
-2.521371850000000e-01 |
3.100000000000000e-06 |
-2.845000000029074e-06 |
PASS |
| PBE0 Fock Int[n*v_xc] |
-3.236492300000000e-01 |
-3.236457000000000e-01 |
3.840000000000000e-06 |
-3.530000000029343e-06 |
PASS |
| PBE0 Fock Total |
-9.597017300000000e-01 |
-5.803856600000000e-01 |
1.640000000000000e-05 |
-3.793160700000000e-01 |
FAIL |