How to analyze the results from Hirshfeld analysis

Seba Darshan · Post by **Seba Darshan** » Mon Sep 14, 2015 12:36 pm

Dear Abinit Users

I am trying to calculate the charges on some carbon atoms in graphene supercell using Hirshfeld charge analysis.

I followed the steps for performing Hirshfeld analysis using cut3d and got results. But I cant understand the terms in the output such as Hirshfeld charge, net charge etc.

Which charge I have to take as the charge on all atoms, is it Hirshfeld charge or net charge.

Can someone guide me in this regard.

Hope to hear from you favourably

Thanks in advance
Seba