Dear Winfred Mulwa, first, your bands are correctly extracted from the output of Espresso, although some very low lying bands are missing. The bands show almost no dispersion, I can just guess, but your lattice constant might be too big which results in weakly interacting (almost isolated) atoms and therefore discrete energy levels instead of bands. ...Just an idea.
Regards Lars -- Universit? degli Studi di Roma Tor Vergata Dipartimento di Fisica Teorie di Fisica della materia via della Ricerca Scientifica 1 00133 Rome Italy 2011/11/23 Winfred Mulwa <mulwawinfred at gmail.com> > Dear all > I have created the attached bands of doped rutile(TiO2), they are > closely packed together and > i don't know the problem. Can any one assist in identifying the problem. > > Mulwa Winfred. > M Phil Student, Computational Material Science Group, > Chepkoilel University College > Eldoret, Kenya. > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Lars Matthes Institut f?r Festk?rpertheorie und -optik Friedrich-Schiller-Universit?t Jena Max-Wien-Platz 1 07743 Jena Germany Phone: +49.3641.947163 Mail: Lars.Matthes at uni-jena.de -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111123/53dbfe85/attachment.htm
