<div dir="ltr"><div><div>Dear Dr. Mitsuaki Kawamura,<br><br></div>Thank you very much for your response. <br><br><br></div><div>Is it possible to get phonon plot in tetra example by manual extraction of data from the case.dyn files?<br><br></div><div>Thanking you.<br></div><div><br><br><div><br></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, May 4, 2017 at 7:46 PM, Mitsuaki Kawamura <span dir="ltr"><<a href="mailto:mkawamura@issp.u-tokyo.ac.jp" target="_blank">mkawamura@issp.u-tokyo.ac.jp</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Dr. P.V.SREENIVASA REDDY<br>
<br>
The file "gam.lines" in this list has the line width (\gamma_{q \nu}) of all computed q points.<br>
<br>
For the other topic, " Tetra_example in QE_6.1 example PHnon/tetra_example",<br>
electron_phonon = "tetra_lambda" together with the Fourier interpolation (by using q2r.x and matdyn.x) has not been supported yet.<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>
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<br>
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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 Peram sreenivasa reddy<br>
Sent: Thursday, May 4, 2017 1:02 PM<br>
To: PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
Subject: [Pw_forum] Reg: plotting of phonon line width along high symmetry directions<br>
<div><div class="h5"><br>
Dear PWSCF,<br>
I successfully installed QE.6.1 version. Here my main aim to get λq and ωq around different high symmetry point like phonon dispersion plot.<br>
I successfully run the Aluminium example in PHonon/example03. The genarated files are as follows.<br>
<br>
a2F.dos1 a2F.dos8 al.dyn1 <a href="http://al.elph.in" rel="noreferrer" target="_blank">al.elph.in</a> <a href="http://disp.in" rel="noreferrer" target="_blank">disp.in</a> elph.gamma.4 <a href="http://gamma10.ps" rel="noreferrer" target="_blank">gamma10.ps</a> gamma.disp.out matdyn.in.freq.new TMP<br>
a2F.dos10 a2F.dos9 al.dyn2 al.elph.out disp.out elph.gamma.5 gamma1.dat gamma_test.agr matdyn.modes<br>
a2F.dos2 Al444.fc al.dyn3 alpha2F.dat dyna2F elph.gamma.6 <a href="http://gamma1.ps" rel="noreferrer" target="_blank">gamma1.ps</a> lambda matdyn.out.dos<br>
a2F.dos3 Al444.freq al.dyn4 al.ph.agr elph_dir elph.gamma.7 gamma2.dat lambda.dat matdyn.out.freq<br>
a2F.dos4 <a href="http://Al444.freq.gp" rel="noreferrer" target="_blank">Al444.freq.gp</a> al.dyn5 <a href="http://al.scf.fit.in" rel="noreferrer" target="_blank">al.scf.fit.in</a> elph.gamma.1 elph.gamma.8 <a href="http://gamma2.ps" rel="noreferrer" target="_blank">gamma2.ps</a> <a href="http://lambda.in" rel="noreferrer" target="_blank">lambda.in</a> matdyn.out.freq.new<br>
a2F.dos5 al_disp_0.dat al.dyn6 al.scf.fit.out elph.gamma.10 elph.gamma.9 gamma3.dat lambda.out phonon.dos<br>
a2F.dos6 <a href="http://al_disp_0.ps" rel="noreferrer" target="_blank">al_disp_0.ps</a> al.dyn7 <a href="http://al.scf.in" rel="noreferrer" target="_blank">al.scf.in</a> elph.gamma.2 gam.lines <a href="http://gamma3.ps" rel="noreferrer" target="_blank">gamma3.ps</a> matdyn.in.dos <a href="http://q2r.in" rel="noreferrer" target="_blank">q2r.in</a><br>
a2F.dos7 al.dyn0 al.dyn8 al.scf.out elph.gamma.3 gamma10.dat <a href="http://gamma.disp.in" rel="noreferrer" target="_blank">gamma.disp.in</a> matdyn.in.freq q2r.out<br>
Here i did phonon calculations with q grid nq1=4, nq2=4, nq3=4. It is creating 10 number of al.dyn files and 10 number of elph.gamma files.<br>
Here my problem is how to get phonon line-widths for a hole BZ like phonon dispersion.<br>
I can plot individual elph.gamma file with the following script<br>
<br>
elph.gamma.10<br>
0 300<br>
gamma10.dat<br>
<a href="http://gamma10.ps" rel="noreferrer" target="_blank">gamma10.ps</a><br>
0.0<br>
20.0<br>
0.0<br>
But i want a complete integrated within the BZ. So, what i need to do to get total line width for each acoustic phonon mode.<br>
Please help me in this regard.<br>
Thanking you.<br>
<br>
<br>
<br>
<br>
--<br>
P.V.SREENIVASA REDDY<br>
Research Scholar<br>
Department of Physics<br>
Indian Institute of Technology<br>
Hyderabad<br>
<br>
<br>
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<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/<wbr>listinfo/pw_forum</a></blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><i>P.V.SREENIVASA REDDY</i><br><i>Research Scholar<br>Department of Physics </i><br><div><i>Indian Institute of Technology</i></div><div><i>Hyderabad</i></div></div>
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