[Pw_forum] Need help with Supercell calculation

[Ari P Seitsonen]

Dear Sayan Chaudhuri,

   If you multiply the number of cells by four, shouldn't you also multiply 
'tot_magnetization' by four too?

     Greetings from Rabat/Morocco,

        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 Thu, 4 May 2017, sayan chaudhuri wrote:

> Hi all,
> 
>    I am calculating DOS structure for a heusler alloy Fe2TiSb. When I am not using a supercell I am
> getting the same result reported previously, but after using a supercell I am getting very different
> result.
>  I am attaching the scf files and DOS output for both the cases. Please tell me what mistakes I am doing
> while considering the supercell. The one with _sup in the name, contains supercell.
> 
> Thanking you in advance,
>    Sayan Chaudhuri
> 
>