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I think the problem comes from using<br>
exxdiv_treatment = 'gygi-baldereschi' ,<br>
without setting an Hybrid functional, exxdiv_threatement is only
useful for Exact Exchange (EXX) calculations. Just remove that line
and the code will run. <br>
<br>
kind regards<br>
<br>
<div class="moz-cite-prefix">On 06/24/2014 03:47 PM, Khalid Ibne
Masood Khalid wrote:<br>
</div>
<blockquote
cite="mid:CALoavpZiYjK-9ChoMqUcY1knZ-wJYs1Zk=FfcmJuTqYaSX_XUg@mail.gmail.com"
type="cite">
<pre wrap="">Dear Quantum Espresso users,
I am having trouble with Quantum Espresso v 5.1. regarding variable
cell optimization. When I had used Quantum Espresso v 5.0.2 it created
no problem but with the same input file QE v 5.1 terminates saying:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine stop_exx (1):
dft is not hybrid, wrong call
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I have attached both input and output file.
Please help me overcome this problem.
Thanks in advance
</pre>
<br>
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</blockquote>
<br>
<pre class="moz-signature" cols="72">--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
<a class="moz-txt-link-freetext" href="http://www-int.impmc.upmc.fr/~paulatto/">http://www-int.impmc.upmc.fr/~paulatto/</a>
23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05</pre>
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