Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178846690000000e+00 |
-4.178845955000000e+00 |
8.080000000000000e-07 |
-7.350000004180401e-07 |
PASS |
| Eigenvalues |
-1.739077130000000e+00 |
-1.739077000000000e+00 |
8.700000000000000e-06 |
-1.300000000981072e-07 |
PASS |
| Hartree |
2.706538560000000e+00 |
2.706538100000000e+00 |
8.360000000000000e-07 |
4.599999998688986e-07 |
PASS |
| Int[n*v_xc] |
-1.309725360000000e+00 |
-1.309725510000000e+00 |
1.000000000000000e-06 |
1.499999999765578e-07 |
PASS |
| Exchange |
-1.002377030000000e+00 |
-1.002377180000000e+00 |
1.000000000000000e-06 |
1.500000001986024e-07 |
PASS |
| Correlation |
-4.057933000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
-9.999999994736442e-09 |
PASS |
| Kinetic |
5.869314000000000e-01 |
5.869315500000000e-01 |
1.000000000000000e-06 |
-1.499999999765578e-07 |
PASS |
| External |
-6.429359490000000e+00 |
-6.429358890000000e+00 |
1.200000000000000e-06 |
-6.000000007944095e-07 |
PASS |
| Dipole |
9.697170000000001e-07 |
0.000000000000000e+00 |
5.000000000000000e-06 |
9.697170000000001e-07 |
PASS |