[gpaw-users] Graphene nanoribbon

[Marcin Dulak]

Hi,

yes, please see an example:
https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/gpaw/test/big/GNR/ZGNR12.py
and the ASE documentation here:
https://wiki.fysik.dtu.dk/ase/ase/structure.html#graphene-nanoribbons

Best regards,

Marcin

On 12/15/12 09:35, Jack Walton wrote:
>
> Dear Dr. Olsen,
>
>  I was wondering if the software GPAW is capable of using other 
> boundary conditions rather than periodic conditions, namely using 
> boundary conditions compatible with simulating graphene nanoribbons.
>  I am looking forward to your email.
>
> Thanks in advance
> Regards
> Jack Walton
>
>
>
>
> _______________________________________________
> gpaw-users mailing list
> gpaw-users at listserv.fysik.dtu.dk
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-- 
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Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk

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