Hi, as far as I know, there is no any techinques for choosing ecut and k-points. Please have a look at the pwscf archive and make up a conclusion.
Best, Ali > Date: Sat, 23 Feb 2013 19:55:51 +0000 > From: benpalmer1983 at gmail.com > To: pw_forum at pwscf.org > Subject: [Pw_forum] Technique for converging Ecut and K-points? > > Hi everyone, > > I just wanted to ask if users have any techniques for choosing ecut and > k-points? I've read that one way would be to start with a high number > of k-points and high energy cutoff, and use that energy as an almost > true value. Then adjust k-points and energy cutoff from a lower > number/cutoff until it converges to the true value. Would you try to > converge energy cutoff first, or k-points? Does it matter which you > converge first? > > Thanks > > Ben Palmer > Student @ University of Birmingham > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130224/a47d99de/attachment.html
