Input 03-xc.b3lyp_oep.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| B3LYP OEP Eigenvalue up |
-1.019204000000000e+00 |
-1.019171000000000e+00 |
3.630000000000000e-05 |
-3.299999999994974e-05 |
PASS |
| B3LYP OEP Eigenvalue dn |
-8.379600000000000e-01 |
-8.379245000000000e-01 |
3.910000000000000e-05 |
-3.550000000007714e-05 |
PASS |
| B3LYP OEP Exchange |
-5.057347000000000e-02 |
-5.057615000000000e-02 |
2.940000000000000e-06 |
2.679999999997962e-06 |
PASS |
| B3LYP OEP Correlation |
-2.734433000000000e-01 |
-2.734403300000000e-01 |
3.280000000000000e-06 |
-2.969999999991035e-06 |
PASS |
| B3LYP OEP Int[n*v_xc] |
-4.490554300000000e-01 |
-4.490569900000000e-01 |
1.690000000000000e-06 |
1.560000000011552e-06 |
PASS |
| B3LYP OEP Total |
-5.258437000000000e-01 |
-5.258245950000000e-01 |
2.100000000000000e-05 |
-1.910500000001925e-05 |
PASS |