Thanks for your answers. I have a question that it might not crelated to Q. E Is it true to fit DOS which had been calculated with a tight binding model with DFT one to get the parameters in the tight binding model? Thanks for your help
Mohen Modarresi On Tue, Sep 7, 2010 at 3:01 PM, Mighfar Imam <mighfar at jncasr.ac.in> wrote: > dos.x does it for the whole system (i.e. unit > cell). projwfc.x can do it for the individual > atoms or their electronic states. > > -Mighfar Imam > JNCASR, Bangalore. > > > Dear all, > > "dos.x" calculate "density of state per unit > > cell" or "density of state per > > site (atom)"? > > Thanks for your reply > > Mohsen Modarresi > > Ferdowsi University > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > _______________________________________________ > 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/20100908/8a378e19/attachment.htm
