[Pw_forum] mos2

[Ari P Seitsonen]

Dear Ashkan,

   Yes, due to back-folding - unless you perform the "back-folding". Jonas 
Björk told me that they have a public code for doing this and it should 
also work with QE (I have not tried it myself though, even if I should 
have applied it recently - sorry Jonas!)

     Greetings,

        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 Wed, 6 Apr 2016, ashkan shekaari wrote:

> Dear QE users,
> Does the 2*2 supercell of mos2 monolayer have a different band structure than that of the single unit cell?
> 
> 
> --
> Best regards,
> Ashkan Shekaari
> Plasma Physics Research Center, Science and Research Branch, 
> I A U, 14778-93855 Tehran, Iran.
> Mobile: +98 (933) 459 7122
>