Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178869250000000e+00 |
-4.178869520000000e+00 |
3.740000000000000e-07 |
2.700000001354397e-07 |
PASS |
| Eigenvalues |
-1.739099550000000e+00 |
-1.739099660000000e+00 |
2.150000000000000e-07 |
1.099999999976120e-07 |
PASS |
| Hartree |
2.706537270000000e+00 |
2.706538100000000e+00 |
1.140000000000000e-06 |
-8.299999998406804e-07 |
PASS |
| Int[n*v_xc] |
-1.309727060000000e+00 |
-1.309727120000000e+00 |
7.150000000000000e-08 |
5.999999985739635e-08 |
PASS |
| Exchange |
-1.002380230000000e+00 |
-1.002380280000000e+00 |
1.040000000000000e-07 |
5.000000014021566e-08 |
PASS |
| Correlation |
-4.057925000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
7.000000000478845e-08 |
PASS |
| Kinetic |
5.869460000000000e-01 |
5.869460700000000e-01 |
3.190000000000000e-07 |
-7.000000001866624e-08 |
PASS |
| External |
-6.429393650000000e+00 |
-6.429393800000000e+00 |
4.560000000000000e-07 |
1.499999999765578e-07 |
PASS |
| Dipole |
-1.372500000000000e-07 |
0.000000000000000e+00 |
5.000000000000000e-06 |
-1.372500000000000e-07 |
PASS |