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 |
-4.179658230000000e+00 |
-4.179676910000000e+00 |
1.000000000000000e-04 |
1.868000000015968e-05 |
PASS |
| LDA Exchange |
-1.002416510000000e+00 |
-1.002412360000000e+00 |
1.000000000000000e-04 |
-4.150000000091580e-06 |
PASS |
| LDA Correlation |
-4.057900000000000e-02 |
-4.057719000000000e-02 |
1.000000000000000e-04 |
-1.809999999997924e-06 |
PASS |
| LDA Int[n*v_xc] |
-1.309700360000000e+00 |
-1.309689820000000e+00 |
1.000000000000000e-04 |
-1.053999999989230e-05 |
PASS |
| LDA Eigenvalue 1 up |
-7.970930000000001e-01 |
-7.970850000000000e-01 |
3.990000000000000e-05 |
-8.000000000008001e-06 |
PASS |
| LDA Eigenvalue 2 up |
-1.672680000000000e-01 |
-1.672620000000000e-01 |
8.360000000000000e-06 |
-6.000000000006001e-06 |
PASS |
| LDA Eigenvalue 1 dn |
-7.751570000000000e-01 |
-7.751570000000000e-01 |
3.880000000000000e-05 |
0.000000000000000e+00 |
PASS |
| LDA Eigenvalue 2 dn |
-8.742800000000001e-02 |
-8.741900000000001e-02 |
4.370000000000000e-05 |
-8.999999999995123e-06 |
PASS |