<div dir="ltr"><div>Hi,<br></div>please follow attached tutorial.<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Sep 30, 2016 at 11:21 PM, Abdullah N. Albarakati <span dir="ltr"><<a href="mailto:anbarakati@uqu.edu.sa" target="_blank">anbarakati@uqu.edu.sa</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<div style="direction:ltr;font-family:Tahoma;color:#000000;font-size:10pt">Dear Mamindla Ramesh,<br>
<br>
Thank you for quick response, <br>
I have did what you recommended, but the problem is still. The attached files are input, out and crash files.<br>
<br>
Abdullah<br>
<br>
<br>
<div style="font-family:Times New Roman;color:#000000;font-size:16px">
<hr>
<div style="direction:ltr"><font color="#000000" size="2" face="Tahoma"><b>From:</b> <a href="mailto:pw_forum-bounces@pwscf.org" target="_blank">pw_forum-bounces@pwscf.org</a> [<a href="mailto:pw_forum-bounces@pwscf.org" target="_blank">pw_forum-bounces@pwscf.org</a>] on behalf of Mamindla Ramesh [<a href="mailto:ph14resch11002@iith.ac.in" target="_blank">ph14resch11002@iith.ac.in</a>]<br>
<b>Sent:</b> Friday, September 30, 2016 7:31 AM<br>
<b>To:</b> PWSCF Forum<br>
<b>Subject:</b> Re: [Pw_forum] second call: A problem in calculating x phonons<br>
</font><br>
</div><div><div class="h5">
<div></div>
<div>
<div dir="ltr">
<div>Hi,<br>
</div>
please do not calculate nscf and after scf calculation do ph.x<br>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Fri, Sep 30, 2016 at 6:39 AM, Abdullah N. Albarakati <span dir="ltr">
<<a href="mailto:anbarakati@uqu.edu.sa" target="_blank">anbarakati@uqu.edu.sa</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div style="direction:ltr;font-family:Tahoma;color:#000000;font-size:10pt">Dear experts,<br>
<br>
I want to calculate x photons as described below:<br>
<br>
first run scf calculation, then a nscf calculation, then a ph.x run for a while and then stopped.<br>
<br>
the output is below:<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br>
Error in routine set_irr_sym_new (5722):<br>
wrong representation<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
<br>
what should I do?<br>
<br>
thank you in advance,<br>
<br>
Abdullah <br>
</div>
<br>
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<div dir="ltr"><span style="background-color:rgb(0,0,0)"><span>
<div style="font-family:arial;font-size:small">M. Ramesh<br>
</div>
<div style="font-family:arial;font-size:small">Research Scholar</div>
<div style="font-family:arial;font-size:small">Department of Physics</div>
<div style="font-family:arial;font-size:small">IIT Hyderabad</div>
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