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Hi,<br><br>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.<br><br>Best,<br>Ali<br><br><div><div id="SkyDrivePlaceholder"></div>> Date: Sat, 23 Feb 2013 19:55:51 +0000<br>> From: benpalmer1983@gmail.com<br>> To: pw_forum@pwscf.org<br>> Subject: [Pw_forum] Technique for converging Ecut and K-points?<br>> <br>> Hi everyone,<br>> <br>> I just wanted to ask if users have any techniques for choosing ecut and <br>> k-points? I've read that one way would be to start with a high number <br>> of k-points and high energy cutoff, and use that energy as an almost <br>> true value. Then adjust k-points and energy cutoff from a lower <br>> number/cutoff until it converges to the true value. Would you try to <br>> converge energy cutoff first, or k-points? Does it matter which you <br>> converge first?<br>> <br>> Thanks<br>> <br>> Ben Palmer<br>> Student @ University of Birmingham<br>> _______________________________________________<br>> Pw_forum mailing list<br>> Pw_forum@pwscf.org<br>> http://pwscf.org/mailman/listinfo/pw_forum<br></div> </div></body>
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