I have the similar problem with QE calculation with Phonon, I can not reproduece the result of an article for negative frequency around Gamma. But I think that the tr2_ph to be 1.0d-14 is enough. and recently I found Blog talks abount this question for negative frequency. BUt I can not get the idea why.I hope some senior user can give insight comment on this question the Blog web is http://blog.sina.com.cn/s/blog_5f15ead20101rhyj.html
jzlhubei at gmail.com From: Vincenzo Verdolino Date: 2014-08-25 17:05 To: dalcorso; PWSCF Forum Subject: Re: [Pw_forum] Phonon calculation Hi Andrea, thank you for your answer, i will do that and give you updates if things get better. Vincenzo On Mon, Aug 25, 2014 at 10:40 AM, Andrea Dal Corso <dalcorso at sissa.it> wrote: I would start checking convergence with respect to tr2_ph. HTH, Andrea On Mon, 2014-08-25 at 07:25 +0200, Vincenzo Verdolino wrote: > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it _______________________________________________ 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/20140825/c9cddd56/attachment.html
