Input 34-jellium_slab.01-gs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Total k-points |
9.000000000000000e+00 |
9.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Total energy |
1.874471000000000e+00 |
1.874471000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Ion-ion energy |
9.652184900000000e-01 |
9.652184900000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalues sum |
-7.530750000000000e-02 |
-7.530750000000000e-02 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree energy |
-9.659364300000000e-01 |
-9.659364300000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Exchange energy |
-4.747554000000000e-02 |
-4.747554000000000e-02 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Correlation energy |
-1.476684000000000e-02 |
-1.476684000000000e-02 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Kinetic energy |
5.993830000000000e-03 |
5.993830000000000e-03 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| External energy |
1.931437360000000e+00 |
1.931437360000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |