[Pw_forum] Phonon calculation

[jzlhubei at gmail.com]

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:
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Andrea Dal Corso                    Tel. 0039-040-3787428
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I-34136 Trieste (Italy)             e-mail: dalcorso at sissa.it


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