Dear all,
Does anyone knows how to obtain atomic charges from an iterative Hirshfeld partitioning using VASP? What is the necessary setting in the INCAR file?
Thank you for any hint.
hirshfeld analysis in vasp
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Racknarok
hirshfeld analysis in vasp
Last edited by Racknarok on Mon Sep 02, 2013 5:18 pm, edited 1 time in total.
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support_vasp
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Re: hirshfeld analysis in vasp
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