Voronoi option

Bader charge density analysis

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Daniel
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Voronoi option

Post by Daniel »

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

Post by graeme »

No; it's a trivial sanity check part of the code.
Daniel
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Re: Voronoi option

Post by Daniel »

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

Post by 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.
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