You have to do post processing. Look at example no. 4 or 5. That will give you an idea.
On Mon, Aug 30, 2010 at 12:14 PM, barfi koa <barfi.koa at gmail.com> wrote: > > Dear Users > > In example 01, there is an input file for calculating the band structure of > silicon that I ran it and drew the band structure successfully. But I can > not find any information about orbitals (1s, 2s, 2p, ...) in the output file > to ascribe them to the bands. How can I find the atomic orbital or molecular > orbital origin of each band by Quantum Espresso. > > Truly Yours > Koa > > > > > > > > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Amandeep Kaur Graduate Student Department of Physics University of California,Davis -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100830/8647fa7e/attachment.htm
