The same 50,000 move VMC calculation that was used to verify the
reduction in energy produced when optimising with respect to the
coefficients of the
was also used to calculate a new charge density
for the system. This is shown in the plane of the Ge bond in Figure
.
It is clear that the optimisation has brought the charge
density along the bond closer to the LDA value than the original ΒΈ.
However, it is still not possible to resolve any error in the LDA charge
density.