Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178845730000000e+00 |
-4.178845955000000e+00 |
8.080000000000000e-07 |
2.249999999648367e-07 |
PASS |
| Eigenvalues |
-1.739076910000000e+00 |
-1.739077000000000e+00 |
8.700000000000000e-06 |
8.999999989711682e-08 |
PASS |
| Hartree |
2.706537840000000e+00 |
2.706538100000000e+00 |
8.360000000000000e-07 |
-2.599999997521252e-07 |
PASS |
| Int[n*v_xc] |
-1.309725200000000e+00 |
-1.309725510000000e+00 |
1.000000000000000e-06 |
3.100000001143854e-07 |
PASS |
| Exchange |
-1.002376830000000e+00 |
-1.002377180000000e+00 |
1.000000000000000e-06 |
3.500000000933312e-07 |
PASS |
| Correlation |
-4.057936000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
-3.999999999976245e-08 |
PASS |
| Kinetic |
5.869312000000000e-01 |
5.869315500000000e-01 |
1.000000000000000e-06 |
-3.499999999823089e-07 |
PASS |
| External |
-6.429358750000000e+00 |
-6.429358890000000e+00 |
1.200000000000000e-06 |
1.400000000373325e-07 |
PASS |
| Dipole |
1.381200000000000e-06 |
0.000000000000000e+00 |
5.000000000000000e-06 |
1.381200000000000e-06 |
PASS |