hirshfeld analysis in vasp

Queries about input and output files, running specific calculations, etc.


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Racknarok

hirshfeld analysis in vasp

#1 Post by Racknarok » Mon Sep 02, 2013 5:18 pm

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.
Last edited by Racknarok on Mon Sep 02, 2013 5:18 pm, edited 1 time in total.

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Re: hirshfeld analysis in vasp

#2 Post by support_vasp » Thu Sep 12, 2024 7:41 am

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