<div dir="ltr"><div>Hello,</div><div>I suggest you to have a look at section 2.6.1 of the user_guide (Doc folder) and try the options suggested. If you still have troubles let me know.</div><div><br></div><div>Cheers,</div><div>Fabrizio<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Dec 8, 2021 at 3:57 PM Michal Husak <<a href="mailto:Michal.Husak@vscht.cz">Michal.Husak@vscht.cz</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi<br>
<br>
I had successfully compiled libxc and than recompiled QE 6.8 with the<br>
--with-libxc-include=\opt\etsf option of the ./configure ....<br>
<br>
The final binary differs from the one build without libxc so the <br>
libxc linking was hopefully successful ...<br>
<br>
After requesting SCAN functional I sill get following message:<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine set_dft_from_name (2):<br>
libxc needed for this functional<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
How is it possible with QE build with the libxc ?<br>
<br>
Any idea what to check ?<br>
<br>
Michal<br>
<br>
<br>
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