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Simple charge integration within sphere around atom

https://henkelmanlab.org/forum/viewtopic.php?t=638

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Simple charge integration within sphere around atom

Posted: Wed Feb 10, 2010 4:04 am
by lokuz
Is it possible to integrate the charge density with the Bader tool within a given sphere around an atom? Or is there a different tool for this?

Thanks

Lothar

Re: Simple charge integration within sphere around atom

Posted: Wed Feb 10, 2010 4:31 am
by graeme
You can specify RWIGS in vasp to do this.
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