Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178869440000000e+00 |
-4.178869200000000e+00 |
2.090000000000000e-06 |
-2.399999994295854e-07 |
PASS |
| Eigenvalues |
-1.739099530000000e+00 |
-1.739099250000000e+00 |
7.480000000000000e-07 |
-2.800000000746650e-07 |
PASS |
| Hartree |
2.706537480000000e+00 |
2.706538100000000e+00 |
1.140000000000000e-06 |
-6.199999997846817e-07 |
PASS |
| Int[n*v_xc] |
-1.309727130000000e+00 |
-1.309727120000000e+00 |
7.150000000000000e-08 |
-1.000000016126990e-08 |
PASS |
| Exchange |
-1.002380330000000e+00 |
-1.002380300000000e+00 |
5.010000000000001e-07 |
-3.000000003972048e-08 |
PASS |
| Correlation |
-4.057922000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
1.000000000028756e-07 |
PASS |
| Kinetic |
5.869463200000000e-01 |
5.869462100000000e-01 |
3.030000000000000e-07 |
1.099999999976120e-07 |
PASS |
| External |
-6.429394100000000e+00 |
-6.429393980000000e+00 |
4.840000000000000e-07 |
-1.199999992707035e-07 |
PASS |
| Dipole |
-1.720570000000000e-07 |
0.000000000000000e+00 |
5.000000000000000e-06 |
-1.720570000000000e-07 |
PASS |