[Pw_forum] ecutwfc

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Sun Jul 22 23:42:17 CEST 2012


On Mon, Jul 16, 2012 at 7:47 AM, Sohail Ahmad <sohailphysics at yahoo.co.in>wrote:

> Dear Users,
> In QE, the usual first step is testing PP and ecutwfc
> I did it the same for bulk structure of a compound and followed further
> calculations
>
>  May i consider the same value of ecutoff for mono or bilayers of the
> same compound as i am considering the same pseudo potential
>
>
>
yes, you can
normally, cutoff only depends on the choice of pseudopotentials

-- 
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
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