Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178846060000000e+00 |
-4.178845955000000e+00 |
8.500000000000000e-07 |
-1.049999998059548e-07 |
PASS |
| Eigenvalues |
-1.739076160000000e+00 |
-1.739077000000000e+00 |
8.700000000000000e-06 |
8.400000000019503e-07 |
PASS |
| Hartree |
2.706538860000000e+00 |
2.706538100000000e+00 |
8.899999999999999e-07 |
7.600000002661034e-07 |
PASS |
| Int[n*v_xc] |
-1.309725390000000e+00 |
-1.309725510000000e+00 |
1.000000000000000e-06 |
1.199999999368373e-07 |
PASS |
| Exchange |
-1.002377100000000e+00 |
-1.002377180000000e+00 |
1.000000000000000e-06 |
8.000000017993614e-08 |
PASS |
| Correlation |
-4.057932000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Kinetic |
5.869316500000000e-01 |
5.869315500000000e-01 |
1.000000000000000e-06 |
1.000000000583867e-07 |
PASS |
| External |
-6.429359980000000e+00 |
-6.429358890000000e+00 |
1.400000000000000e-06 |
-1.090000000480984e-06 |
PASS |
| Dipole |
3.835430000000000e-06 |
0.000000000000000e+00 |
5.000000000000000e-06 |
3.835430000000000e-06 |
PASS |