Input 01-xc_1d.01-wfs-lda.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| LDA Total Energy |
-4.179651570000000e+00 |
-4.179676910000000e+00 |
1.000000000000000e-04 |
2.534000000053993e-05 |
PASS |
| LDA Exchange |
-1.002422060000000e+00 |
-1.002412360000000e+00 |
1.000000000000000e-04 |
-9.700000000112396e-06 |
PASS |
| LDA Correlation |
-4.057831000000000e-02 |
-4.057719000000000e-02 |
1.000000000000000e-04 |
-1.120000000000287e-06 |
PASS |
| LDA Int[n*v_xc] |
-1.309705790000000e+00 |
-1.309689820000000e+00 |
1.000000000000000e-04 |
-1.596999999997628e-05 |
PASS |
| LDA Eigenvalue 1 up |
-7.970850000000000e-01 |
-7.970850000000000e-01 |
3.990000000000000e-05 |
0.000000000000000e+00 |
PASS |
| LDA Eigenvalue 2 up |
-1.672620000000000e-01 |
-1.672620000000000e-01 |
8.360000000000000e-06 |
0.000000000000000e+00 |
PASS |
| LDA Eigenvalue 1 dn |
-7.751479999999999e-01 |
-7.751479999999999e-01 |
3.880000000000000e-07 |
0.000000000000000e+00 |
PASS |
| LDA Eigenvalue 2 dn |
-8.741900000000000e-02 |
-8.741900000000001e-02 |
4.370000000000000e-05 |
1.387778780781446e-17 |
PASS |