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
