[Pw_forum] DOS of graphene

[mohsen modaresi]

Hi
Install "WANT", you can find a test about graphene.
Good luck
Mohsen Modaresi

On 3/11/10, Duy Le <ttduyle at gmail.com> wrote:
> Did you Open the scf output file and look for the fermi level written in it.
> --------------------------------------------------
> 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
>>
>> ________________________________
>> Do you have a story that started on Hotmail? Tell us now
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://www.democritos.it/mailman/listinfo/pw_forum
>>
>>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>