[Pw_forum] Hirshfeld Charges

[Sonu Kumar]

>
> Hi All,
>

Hi Gulcin,

>
> I want to calculate Hirshfeld on each carbon and lithium for
> graphene-lithium system to be able to analyze the charge transfer from
> lithium to graphene.
>
> you can find the lowdin charges associated with each atom using processing
code, projwfc.x after scf and nscf calculations in QE package..

hope it helps.

good luck.
==========================================
Sonu Kumar
Phd Student,Physics Department
Indian Institute of Technology ,Delhi-110016, India
web:-http://www.iitd.ac.in/
==========================================



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