Dear Shok, I guess you have to set the "nbnd" parameter according to your needs, based on the number of electrons you have in your system.
Bertrand ? *********************************** Bertrand SITAMTZE Laboratory of Material Sciences Department of Physics Faculty of Sciences University of Yaounde I-Cameroon IMMM, Universit? du Maine Le Mans, France **************************************** ________________________________ De?: pari shok <parishok at gmail.com> ??: "pw_forum at pwscf.org" <pw_forum at pwscf.org> Envoy? le : Jeudi 25 avril 2013 21h52 Objet?: [Pw_forum] conduction band wavefunction Dear All, Is there a way to get the wave function (squared) of the conduction bands for semiconductor materials with quantum espresso? It seems that the code calculates the wave functions (squared) of just the valence bands. I appreciate any kinds of help. Best. P Shok _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130426/80f440ee/attachment.html
