the differences in Voronoi and Bader partitions

[dwyuan]

Dear all,

I found the differences are very large between the charges with Voronoi and Bader partitions, e.g: the example case of NaCl
. How to understand it?

Thanks

[andri]

In this case, think of the Voronoi scheme as a Bader scheme, except all the atoms have now the same electron negativity.