Please provide your name and affiliation in next messages. The topic has been dealt with many times in the forum, see e.g. http://qe-forge.org/pipermail/pw_forum/2009-November/089545.html <http://qe-forge.org/pipermail/pw_forum/2009-November/089545.html> and many slides/tutorials available on the web.
By the way, the choice of ecutwfc depends on the pseudopotentials you use, not on the particular system size giovanni > On 20 Jun 2017, at 16:04, ali mehdizadeh > <[email protected]> wrote: > > ---------- Forwarded message ---------- > From: "ali mehdizadeh" <[email protected] > <mailto:[email protected]>> > Date: Jun 11, 2017 1:48 PM > Subject: how to choose ecutwfc > To: <[email protected] <mailto:[email protected]>> > Cc: > > hello > ecutwfc are dependent to the particle size for example the difference > between quantum dots 3 nm and bulk or ecutwfc just dependent to > pseudopotentials . > thanks > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: [email protected] Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.fisica.unina.it/~cantele
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