Input 03-xc.pbe0_oep.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| PBE0 OEP Eigenvalue up |
-1.024691000000000e+00 |
-1.024722000000000e+00 |
3.410000000000000e-05 |
3.100000000011427e-05 |
PASS |
| PBE0 OEP Eigenvalue dn |
-8.208290000000000e-01 |
-8.208640000000000e-01 |
3.850000000000000e-05 |
3.500000000000725e-05 |
PASS |
| PBE0 OEP Exchange |
-6.322353000000000e-02 |
-6.322018000000000e-02 |
3.670000000000000e-06 |
-3.349999999999187e-06 |
PASS |
| PBE0 OEP Correlation |
-2.521343800000000e-01 |
-2.521371850000000e-01 |
3.100000000000000e-06 |
2.804999999994617e-06 |
PASS |
| PBE0 OEP Int[n*v_xc] |
-4.500892900000000e-01 |
-4.500860700000000e-01 |
3.510000000000000e-06 |
-3.219999999970469e-06 |
PASS |
| PBE0 OEP Total |
-5.171472100000000e-01 |
-5.171654900000000e-01 |
2.010000000000000e-05 |
1.828000000003716e-05 |
PASS |