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 & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120722/0fd1e44e/attachment-0001.htm
