> > 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/ ========================================== > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120801/dd2eb08c/attachment.htm
