[Pw_forum] Graphene

[Ari P Seitsonen]

@Ankita,

   Please learn the concept of a "slab": Adding vacuum in the third 
direction (and you can use the [surface] dipole correction if the two 
surfaces/sides do not have the same asymptotic potential).

@Brahma,

   Please provide your afficialtion too. ;)

     Greetings from the Aeroport of Zurich,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
     Ecole Normale Supérieure (ENS), Département de Chimie, Paris
     Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935


On Sun, 10 Sep 2017, Bramha Pandey wrote:

> Dear Ankita, You may use virtual nanolab(vnl) which is the part of Quantum wise. It is free for academic
> community. 
> Bdw kindly provide your affiliation for future communication on this forum. 
> 
> On Sep 10, 2017 11:36 AM, "ankita jangir" <jangir.niky at gmail.com> wrote:
>
>       Dear qe users
>       I want to run scf for graphene but dont have idea about how to form structure of a 2D
>       material in QE. I  run many 3D crystalline materials on QE.
>       Please suggest.
> 
>
>       _______________________________________________
>       Pw_forum mailing list
>       Pw_forum at pwscf.org
>       http://pwscf.org/mailman/listinfo/pw_forum
> 
> 
>