[Pw_forum] Hirshfeld Charges

Gulcin Kucukdalyan gkucukdalyan at gmail.com
Tue Jul 31 21:37:19 CEST 2012


Hi All,

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.

Can someone please explain to me how can i do it by using quantum-espresso?

Thanks,

Gulcin
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