one basic correction.

Bader charge density analysis

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pankajlbora
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one basic correction.

Post by pankajlbora »

Sir, I want to to know a very basic thing.What is the correct form for partial charge? It is zval-badercharge or badercharge-zval.
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graeme
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Re: one basic correction.

Post by graeme »

I guess it depends upon your convention; if you have more electrons on an atom, this gives a positive increase in the partial charge, and a negatively charged atom.
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