I have personally tested several things...PW cutoff, k sampling fft mash...everything...the only missing thing is the phonon tr2 value...i am doing that right now and let you know
Vincenzo Sent from my iPhone > On 25/ago/2014, at 12:51, "jzlhubei at gmail.com" <jzlhubei at gmail.com> > wrote: > > 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 > > _______________________________________________ > 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/f613e7b6/attachment.html
