[Pw_forum] Phonon calculation
vincenzo.verdolino at gmail.com
Mon Aug 25 13:04:26 CEST 2014
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
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> 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.
>> 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.
>> On Mon, 2014-08-25 at 07:25 +0200, Vincenzo Verdolino wrote:
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