Input 01-xc_1d.oep_exx.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
OEP EXX Eigenvalue 1 up |
-9.488770000000000e-01 |
-9.488770000000000e-01 |
4.740000000000000e-05 |
0.000000000000000e+00 |
PASS |
OEP EXX Eigenvalue 2 up |
-3.155080000000000e-01 |
-3.155080000000000e-01 |
1.580000000000000e-05 |
0.000000000000000e+00 |
PASS |
OEP EXX Eigenvalue 1 dn |
-1.071001000000000e+00 |
-1.071001000000000e+00 |
5.360000000000000e-06 |
0.000000000000000e+00 |
PASS |
OEP EXX Eigenvalue 2 dn |
-2.223400000000000e-02 |
-2.225400000000000e-02 |
3.630000000000000e-05 |
1.999999999999919e-05 |
PASS |
OEP Exact Exchange |
-1.077178300000000e+00 |
-1.077178280000000e+00 |
1.100000000000000e-03 |
-1.999999987845058e-08 |
PASS |
OEP EXX Int[n*v_xc] |
-1.977045110000000e+00 |
-1.977045120000000e+00 |
1.100000000000000e-03 |
1.000000016126990e-08 |
PASS |