[Pw_forum] DOS of graphene

[Duy Le]

Did you open the scf output file and look for the fermi level written in it?

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Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



On Thu, Mar 11, 2010 at 9:26 AM, Elie Moujaes
<elie.moujaes at hotmail.co.uk> wrote:
> I  have done the calculations using a K_PONTS automatic
>                                                  20 20 1  0 0 0
> for the scf calculation and a K_POINTS automatic
>                                        64 64 1  0 0 0
> and I got almost the right DOS but only for -ve values of energy. Nothing
> was produced for the +ve part. Is it because I need to include more points?
> like trying the 128 128 1  0 0 0 grid? N.B: I did specify that Emin=-7 and
> Emax=7 in the inout pp file..
>
>
> Regards
>
> ELie Mouhaes
> University of Nottingham
> NG7 2RD
> Nottingham
> UK
>
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