[Pw_forum] Hirshfeld Charges

[Gulcin Kucukdalyan]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120731/3d786f72/attachment.htm