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 |
-4.179687390000000e+00 |
-4.179676910000000e+00 |
1.000000000000000e-04 |
-1.047999999936877e-05 |
PASS |
| LDA Exchange |
-1.002422420000000e+00 |
-1.002412360000000e+00 |
1.000000000000000e-04 |
-1.006000000014495e-05 |
PASS |
| LDA Correlation |
-4.057815000000000e-02 |
-4.057719000000000e-02 |
1.000000000000000e-04 |
-9.600000000012376e-07 |
PASS |
| LDA Int[n*v_xc] |
-1.309707230000000e+00 |
-1.309689820000000e+00 |
1.000000000000000e-04 |
-1.740999999988446e-05 |
PASS |
| LDA Eigenvalue 1 up |
-7.751620000000000e-01 |
-7.751620000000000e-01 |
3.880000000000000e-05 |
0.000000000000000e+00 |
PASS |
| LDA Eigenvalue 2 up |
-8.742900000000001e-02 |
-8.742900000000001e-02 |
4.370000000000000e-05 |
0.000000000000000e+00 |
PASS |
| LDA Eigenvalue 1 dn |
-7.970990000000000e-01 |
-7.970990000000000e-01 |
3.990000000000000e-05 |
0.000000000000000e+00 |
PASS |
| LDA Eigenvalue 2 dn |
-1.672720000000000e-01 |
-1.672720000000000e-01 |
8.360000000000000e-06 |
0.000000000000000e+00 |
PASS |