[Wannier] bands structure of graphene

Julen Ibanez Azpiroz julen.ibanez at ehu.es
Mon May 14 11:14:14 CEST 2012


Dear Huaqing,

Have you explicitly included the K point where the Dirac cone is expected
in the original k-point mesh in the .win file? If not, you may be getting
an interpolation error between k-points nearby K that leads to the gap. You
could try to use a 3*3*3 grid or so in the .win file that includes the K
point explicitly and see if you get degenerate bands at K.

best regards


-- 
========================================
 Julen Ibañez Azpiroz
 Materia Kondentsatuaren Fisika Saila
 Zientzia eta Teknologia Fakultatea
 Euskal Herriko Unibertsitatea
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