Dear all, I am tryng to evaluate the graphene electron bands with QE, however, i miss (almost) completely the trend of the first conduction band.
In the attachment you can find my imput file for the scf+nscf calculations together with the computed electron bands (the ps file). Any suggestion will be greatly appreciated best regards -- Dr. Fabrizio Gala Dipartimento di Scienze di Base e Applicate per l'Ingegneria, Sezione di Fisica. La Sapienza,University of Rome and Consorzio Nazionale Interuniversitario per le Scienze Fisiche della Materia (CNISM) via A. Scarpa 14-16 00161 Rome - ITALY phone: +390649766772 fax: +390644240183 -------------- next part -------------- A non-text attachment was scrubbed... Name: one_sheet_graphene.bands.ps Type: application/postscript Size: 20160 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20130404/e24b4605/attachment.ps -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: one_sheet_graphene_alat.5.bands.in Url: http://pwscf.org/pipermail/pw_forum/attachments/20130404/e24b4605/attachment.pl -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: one_sheet_graphene_alat.5.scf.in Url: http://pwscf.org/pipermail/pw_forum/attachments/20130404/e24b4605/attachment-0001.pl
