Dear Elias, about your first question, i should say that the fermi energy can move the limit of the energies you choose, so if you want to restrict the limit between -2.1 and 2.1, you should sum min and max energy that you choose with fermi energy (approximately).
I hope that it helps ! Regards Mehrnoosh On Fri, Jul 15, 2011 at 5:30 AM, Elie Moujaes <elie.moujaes at hotmail.co.uk>wrote: > Dear all, > > I am doing calculations on grain boundaries of graphene. When I use * > plotband.x* and restrict the limit of the energies between say -2.1 and > 2.1 eV , The produced curve has limits between -2.7 and 1.8. Why is that the > case? This is also affecting the graph in the sense that when I set the > fermi energy as a reference , the dashed line at the zero is lower than the > actual Fermi energy where bands intersect..See graph attached (in the graph > the point 0.0 is lower than 0.3299 where the bands intersect). Howvere the > general band structure is correct. How can I solve this problem > > > Thanks > > Elias Moukaes > University of Notts > UK > NG7 2RD > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- * * * """"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" * **** Mehrnoosh Kh. Hazrati **** **** Master Student of Computational Physical Chemistry,KNTU,Tehran **** *** Phone : +989123436300 *** *** Mail : mehrnooshhazrati at gmail.com *** * """""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""" * -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110716/f4b33451/attachment-0001.htm