[Pw_forum] URGENT

stefano de gironcoli degironc at sissa.it
Sun Jan 8 23:15:51 CET 2017


there are a few options. from the simplest makov-payne energy correction 
to more elaborated martyna-tuckerman or ems corrections.
you can check the assume_isolated keyword in the &system namelist 
descritpion
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html

stefano


On 08/01/2017 22:20, ashkan shekaari wrote:
> Dear experts,
>
> In dealing with charged unit cells, what kind of scheme is applied in 
> quantum espresso to reduce periodic-image errors?
>
>
> Regards,
> Ashkan/
>
> /
> *Ashkan Shekaari*
> Plasma Physics Research Center
> Science and Research Branch
> I A U, 14778-93855 Tehran, Iran.
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
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