<div dir="ltr">Hi
ShaoFei Wang,<div><br></div><div>It looks like you do not have an interatomic force constant file (file name should be ifc.q2r) saved in the 'save' directory where you have dyn and dvscf files. </div><div><br></div><div>For the EPW related problems, I would recommend posting on <a href="https://forum.epw-code.org/">https://forum.epw-code.org/</a> and an expert will definitely help you out.</div><div><br></div><div>Best,</div><div>Hari Paudyal</div><div>SUNY Binghamton University</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Aug 18, 2021 at 10:01 PM 王绍菲 <<a href="mailto:wangshaofei@ihep.ac.cn">wangshaofei@ihep.ac.cn</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><p>
Hi Paolo
</p>
<p>
This problem was missed when i changed the q points number in phonon calculation. but i confront with another problems
</p>
<p>
Symmetries of small group of q: 12<br>
in addition sym. q -> -q+G:<br>
<br>
Number of q in the star = 1<br>
List of q in the star:<br>
1 0.000000000 0.000000000 0.000000000<br>
97679.479533954713 98317.490504130779<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine dynmat_asr (1):<br>
inconsistent data<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
i think this must be some erro in my save file. but i use the pp.py in epw_mob file to produce the save file.
</p>
<p>
All the files in my save folder are shown in the Attach files.
</p>
thanks for your attention!<br>
<br>
<blockquote name="replyContent" style="padding-left:5px;margin-left:5px;border-left:2px solid rgb(182,182,182);margin-right:0px">
-----Original Messages-----<br>
<b>From:</b><span id="gmail-m_-8311916811991674062rc_from">"Paolo Giannozzi" <<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>></span><br>
<b>Sent Time:</b><span id="gmail-m_-8311916811991674062rc_senttime">2021-08-18 14:21:33 (Wednesday)</span><br>
<b>To:</b> "Quantum ESPRESSO users Forum" <<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>><br>
<b>Cc:</b> <br>
<b>Subject:</b> Re: [QE-users] EPW error>>kgmap<br>
<br>
<div dir="auto">
Please provide an example.
<div dir="auto">
<br>
<div dir="auto">
Paolo
</div>
</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">
Il mar 17 ago 2021, 10:49 王绍菲 <<a href="mailto:wangshaofei@ihep.ac.cn" target="_blank">wangshaofei@ihep.ac.cn</a>> ha scritto:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<p style="white-space:normal">
Did some one know this problem in epw?
</p>
<p style="white-space:normal">
when i calculate the elph, i confront with this questions
</p>
<p style="white-space:normal">
<br>
</p>
<p style="white-space:normal">
Calculating kgmap<br>
Progress kgmap: ########################################<br>
kmaps : 0.37s CPU 0.60s WALL ( 1 calls)<br>
Symmetries of Bravais lattice: 12<br>
Symmetries of crystal: 12<br>
Reading interatomic force constants<br>
</p>
<p style="white-space:normal">
end of file reached, tag GEOMETRY_INFO not found
</p>
<span style="white-space:normal">At line 1013 of file /srv/softwares/q-e-qe-6.7.0/q-e/upflib/xmltools.f90</span><br style="white-space:normal">
<p>
<span style="white-space:normal">Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE</span>
</p>
<p>
<span style="white-space:normal"><br>
</span>
</p>
<p>
<span style="white-space:normal">Thanks alot, hoping to recive letters.</span>
</p>
<p>
<br>
</p>
<br>
<span>--<br>
<p>
<br>
</p>
<p>
Best!
</p>
<p>
<br>
</p>
<p>
ShaoFei Wang
</p>
<p>
E-mail: <a href="mailto:wangshaofei@ihep.ac.cn" rel="noreferrer" target="_blank">wangshaofei@ihep.ac.cn</a>
</p>
<p>
Tel:+8617812085251
</p>
<p>
Address: A1-4F-433 room, No.1, Zhongziyuan road,
Dalang, DongGuan, Guangdong province, China
</p>
<p class="MsoNormal">
<u></u><u></u>
</p>
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