<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
</head>
<body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">
For GaN, I use the following q2r.in:
<div class=""><br class="">
</div>
<div class="">&input <br class="">
fildyn=“peace.xml"<br class="">
zasr='simple',<br class="">
flfrc='gan.fc'<br class="">
/<br class="">
6 6 6<br class="">
28<br class="">
gan.dyn1<br class="">
gan.dyn2<br class="">
gan.dyn3<br class="">
….</div>
<div class="">….</div>
<div class="">Gan.dyn28</div>
<div class=""><br class="">
</div>
<div class="">You may replace peace with your favourite word.</div>
<div class=""><br class="">
</div>
<div class="">For matdyn.in, I use the following matdyn.in:</div>
<div class=""><br class="">
</div>
<div class=""> &input<br class="">
asr='simple', amass(1) = 69.723, amass(2) = 14.007, <br class="">
flfrc='gan.fc.xml', flfrq='gan.crystal.freq', q_in_cryst_coord=.true.<br class="">
/<br class="">
231 <br class="">
0.0000000 0.0000000 0.0000000 0<br class="">
0.0166667 -0.0083333 0.0000000 0<br class="">
0.0333333 -0.0166667 0.0000000 0<br class="">
0.0500000 -0.0250000 0.0000000 0<br class="">
0.0666667 -0.0333333 0.0000000 0<br class="">
…..</div>
<div class=""> …..</div>
<div class=""><br class="">
</div>
<div class="">Cheers,</div>
<div class=""><br class="">
</div>
<div class="">Vahid</div>
<div class=""><br class="">
</div>
<div class="">Vahid Askarpour<br class="">
Department of Physics and Atmospheric Science<br class="">
Dalhousie University,<br class="">
Halifax, NS, Canada<br class="">
<br class="">
<div><br class="">
<blockquote type="cite" class="">
<div class="">On Dec 25, 2017, at 3:40 AM, pachineela rambabu <<a href="mailto:rams.hcu@gmail.com" class="">rams.hcu@gmail.com</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div dir="ltr" class="">
<div class="">
<div class="">Dear Forum, <br class="">
</div>
I have run a ph.x calculation for phonon dispersion including spin-orbit coupling using 4x4x4 grid with qe5.4.0. version. At the end of the calculation, I got dyn files in case.dyn.xml format instead of case.dyn. Here I am unable to use this
case.dyn.xml for further running q2r.x and matdyn.x to obtain case.fc and case.freq. Please help me in this regard.<br class="">
<br class="">
</div>
thanks in advance,<br class="">
<div class="">
<div class="">
<div class="">-- <br class="">
<div class="gmail_signature" data-smartmail="gmail_signature">
<div dir="ltr" class="">
<div class="">
<div dir="ltr" class="">
<div class="">
<div dir="ltr" class="">
<div class="">
<div class="">
<div class=""><b class="">P. Rambabu</b><br class="">
</div>
PhD Scholor<br class="">
</div>
<div class="">Department of Physics, IIT Hyderabad,</div>
<div class="">Kandi, SangaReddy, Telangana, India.<br class="">
</div>
</div>
Mobile: 9074508220.<br class="">
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
_______________________________________________<br class="">
Pw_forum mailing list<br class="">
<a href="mailto:Pw_forum@pwscf.org" class="">Pw_forum@pwscf.org</a><br class="">
http://pwscf.org/mailman/listinfo/pw_forum</div>
</blockquote>
</div>
<br class="">
</div>
</body>
</html>