[Pw_forum] graphene conduction bands
fabrizio gala
fabrizio.gala at uniroma1.it
Thu Apr 4 13:07:30 CEST 2013
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
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