[Pw_forum] DOS of graphene

[Paolo Giannozzi]

On Jul 12, 2008, at 11:25 , meisam aghtar wrote

>  I want to calculate the density of state of graphene
> but there is a problem that it is extremely variant by
> changing the parameters. the best plot of DOS that
> I could find is linear at fermi energy but there is a gap there.

2-d graphene has zero gap only at isolated points of the
Brillouin Zone. Reproducing the exact behavior around
those points with numerical calculations and algorithms
devised to work in 3-d is impractical to say the least.

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222