<div dir="ltr">Thank you Dr. Mitsuaki Kawamura. New input was quite a help. But it does not gave the same results in the references file. it it normal?</div><div class="gmail_extra"><br><div class="gmail_quote">2017-09-16 8:13 GMT+03:00 Mitsuaki Kawamura <span dir="ltr"><<a href="mailto:mkawamura@issp.u-tokyo.ac.jp" target="_blank">mkawamura@issp.u-tokyo.ac.jp</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Dr. UZUNOK<br>
<br>
Hello,<br>
<br>
I am sorry, the input-file format of alpha2f.x program was modified and the script for the example does not work correctly.<br>
The correct run_example script is included in the developing version of QE. It is available here:<br>
<br>
<a href="https://github.com/QEF/q-e/blob/master/PHonon/examples/tetra_example/run_example" rel="noreferrer" target="_blank">https://github.com/QEF/q-e/<wbr>blob/master/PHonon/examples/<wbr>tetra_example/run_example</a><br>
<br>
I am sorry for the inconvenience.<br>
<br>
Best regards,<br>
Mitsuaki Kawamura<br>
<br>
--<br>
------------------------------<wbr>------------------------<br>
Dr. Mitsuaki Kawamura<br>
Software Advancement Team<br>
Supercomputer Section<br>
Materials Design and Characterization Laboratory<br>
The Institute for Solid State Physics, Kashiwa, Japan<br>
e-mail : <a href="mailto:mkawamura@issp.u-tokyo.ac.jp">mkawamura@issp.u-tokyo.ac.jp</a><br>
------------------------------<wbr>------------------------<br>
<br>
From: <a href="mailto:pw_forum-bounces@pwscf.org">pw_forum-bounces@pwscf.org</a> [mailto:<a href="mailto:pw_forum-bounces@pwscf.org">pw_forum-bounces@<wbr>pwscf.org</a>] On Behalf Of Huseyin Yasin Uzunok<br>
Sent: Saturday, September 16, 2017 3:18 AM<br>
To: PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
Subject: [Pw_forum] Tetrahedron and alpha2f.x problem<br>
<div><div class="h5"><br>
Dear QE community,<br>
<br>
I have tried to run tetra_example in the qe-6.1/Examples/PHonon directory for Aluminum. At first in the phonon calculation, it gave an error. So I recompiled it as suggested in this link;<br>
<br>
<a href="http://qe-forge.org/pipermail/pw_forum/2017-April/112600.html" rel="noreferrer" target="_blank">http://qe-forge.org/pipermail/<wbr>pw_forum/2017-April/112600.<wbr>html</a><br>
<br>
With this, I can able to do phonon and electron phonon calculations with tetrahedron occupation. But I could not able to run alpha2f.x execution. I follow the suggestions and I found this entry;<br>
<br>
<br>
<a href="http://qe-forge.org/pipermail/pw_forum/2017-April/112604.html" rel="noreferrer" target="_blank">http://qe-forge.org/pipermail/<wbr>pw_forum/2017-April/112604.<wbr>html</a><br>
<br>
I took the files in the links and tried to recompile the PHonon. (By the way, In the "Makefile" there is an UtilXlib that normally noy included. ı have found it at the internet but it was no use.) I have compiled the alpha2f.x and tried the tetre_example again. I have an error massage as follow;<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%<br>
task # 0<br>
from phq_readin : error # 1<br>
reading inputph namelist<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%<br>
<br>
Is this error caused by the phq_readin.f90 or is it about my executable file? Thanks in advance.<br>
--<br>
------------------------------<wbr>-----------------------------<br>
Arş. Gör. H. Y. UZUNOK<br>
Sakarya Üniversitesi Fizik Bölümü<br>
Tel:<a href="tel:%2B90%20264%202956192" value="+902642956192">+90 264 2956192</a><br>
Gsm: <a href="tel:%2B90%20554%207300135" value="+905547300135">+90 554 7300135</a><br>
------------------------------<wbr>--------------------<br>
<br>
<br>
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