<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body dir="auto"><div>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</div><div><br></div><div>Vincenzo<br><br>Sent from my iPhone</div><div><br>On 25/ago/2014, at 12:51, "<a href="mailto:jzlhubei@gmail.com">jzlhubei@gmail.com</a>" <<a href="mailto:jzlhubei@gmail.com">jzlhubei@gmail.com</a>> wrote:<br><br></div><blockquote type="cite"><div><meta http-equiv="content-type" content="text/html; charset=UTF-8"><style>body { line-height: 1.5; }blockquote { margin-top: 0px; margin-bottom: 0px; margin-left: 0.5em; }div.foxdiv20140825184549296669 { }body { font-size: 10.5pt; font-family: 宋体; color: rgb(0, 0, 0); line-height: 1.5; }</style>
<div><span></span>I have the similar problem with QE calculation with Phonon, I can not reproduece the result of an article for negative frequency around Gamma.</div><div>But I think that the tr2_ph to be <span style="font-family: 宋体, Tahoma; font-size: 14.399999618530273px; line-height: normal; background-color: window;">1.0d-14 is enough.</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;">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</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;">comment on this question</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;">the Blog web is </span><span style="background-color: window; font-size: 10.5pt; line-height: 1.5;"><a href="http://blog.sina.com.cn/s/blog_5f15ead20101rhyj.html">http://blog.sina.com.cn/s/blog_5f15ead20101rhyj.html</a></span></div>
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<div><span><div style="MARGIN: 10px; FONT-FAMILY: verdana; FONT-SIZE: 10pt"><div><a href="mailto:jzlhubei@gmail.com">jzlhubei@gmail.com</a></div></div></span></div>
<blockquote style="margin-top: 0px; margin-bottom: 0px; margin-left: 0.5em;"><div> </div><div style="border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0cm 0cm 0cm"><div style="PADDING-RIGHT: 8px; PADDING-LEFT: 8px; FONT-SIZE: 12px;FONT-FAMILY:tahoma;COLOR:#000000; BACKGROUND: #efefef; PADDING-BOTTOM: 8px; PADDING-TOP: 8px"><div><b>From:</b> <a href="mailto:vincenzo.verdolino@gmail.com">Vincenzo Verdolino</a></div><div><b>Date:</b> 2014-08-25 17:05</div><div><b>To:</b> <a href="mailto:dalcorso@sissa.it">dalcorso</a>; <a href="mailto:pw_forum@pwscf.org">PWSCF Forum</a></div><div><b>Subject:</b> Re: [Pw_forum] Phonon calculation</div></div></div><div><div class="FoxDiv20140825184549296669"><div dir="ltr">Hi Andrea,<div><br></div><div><br></div><div>thank you for your answer, i will do that and give you updates if things get better.</div><div><br></div><div>Vincenzo </div></div><div class="gmail_extra"><br><br>
<div class="gmail_quote">On Mon, Aug 25, 2014 at 10:40 AM, Andrea Dal Corso <span dir="ltr"><<a href="mailto:dalcorso@sissa.it" target="_blank">dalcorso@sissa.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0px 0px 0px 0.8ex; border-left-width: 1px; border-left-color: rgb(204, 204, 204); border-left-style: solid; padding-left: 1ex;">
I would start checking convergence with respect to tr2_ph.<br>
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HTH,<br>
<br>
Andrea<br>
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On Mon, 2014-08-25 at 07:25 +0200, Vincenzo Verdolino wrote:<br>
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