Voronoi option

[Daniel]

Is there a specific reference for Voronoi analysis used in this code? Thank you very much.

[graeme]

No; it's a trivial sanity check part of the code.

[Daniel]

Dear Sir
So I assume there is no individual atomic scaling is used. Thank you very much for the quick reply.

[graeme]

That's exactly right and also why it is of very limited use. It would be qualitatively better to scale the distance to each atom by some standard atomic radii.