Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178869800000000e+00 |
-4.178869200000000e+00 |
2.090000000000000e-06 |
-5.999999999062311e-07 |
PASS |
| Eigenvalues |
-1.739099690000000e+00 |
-1.739099250000000e+00 |
7.480000000000000e-07 |
-4.399999999904480e-07 |
PASS |
| Hartree |
2.706537690000000e+00 |
2.706538100000000e+00 |
1.140000000000000e-06 |
-4.099999997286830e-07 |
PASS |
| Int[n*v_xc] |
-1.309727190000000e+00 |
-1.309727120000000e+00 |
7.150000000000000e-08 |
-7.000000024071085e-08 |
PASS |
| Exchange |
-1.002380400000000e+00 |
-1.002380300000000e+00 |
5.010000000000001e-07 |
-1.000000000583867e-07 |
PASS |
| Correlation |
-4.057921000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
1.100000000045509e-07 |
PASS |
| Kinetic |
5.869464800000000e-01 |
5.869462100000000e-01 |
3.030000000000000e-07 |
2.700000000244174e-07 |
PASS |
| External |
-6.429394420000000e+00 |
-6.429393980000000e+00 |
4.840000000000000e-07 |
-4.399999999904480e-07 |
PASS |
| Dipole |
-3.256760000000000e-07 |
0.000000000000000e+00 |
5.000000000000000e-06 |
-3.256760000000000e-07 |
PASS |