Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178845430000000e+00 |
-4.178845955000000e+00 |
8.500000000000000e-07 |
5.249999999179522e-07 |
PASS |
| Eigenvalues |
-1.739076960000000e+00 |
-1.739077000000000e+00 |
8.700000000000000e-06 |
3.999999997894577e-08 |
PASS |
| Hartree |
2.706537490000000e+00 |
2.706538100000000e+00 |
8.899999999999999e-07 |
-6.099999998454564e-07 |
PASS |
| Int[n*v_xc] |
-1.309725140000000e+00 |
-1.309725510000000e+00 |
1.000000000000000e-06 |
3.699999999717818e-07 |
PASS |
| Exchange |
-1.002376760000000e+00 |
-1.002377180000000e+00 |
1.000000000000000e-06 |
4.200000001119975e-07 |
PASS |
| Correlation |
-4.057936000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
-3.999999999976245e-08 |
PASS |
| Kinetic |
5.869307700000000e-01 |
5.869315500000000e-01 |
1.000000000000000e-06 |
-7.799999999225093e-07 |
PASS |
| External |
-6.429358040000000e+00 |
-6.429358890000000e+00 |
1.400000000000000e-06 |
8.499999992750418e-07 |
PASS |
| Dipole |
-2.435740000000000e-07 |
0.000000000000000e+00 |
5.000000000000000e-06 |
-2.435740000000000e-07 |
PASS |