<div dir="ltr"><div class="gmail_default" style="font-size:large">Thanks for your valuable feedback. <br clear="all"></div><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><font face="arial, sans-serif" color="#0b5394">-------------------------------------------------------------------------------------------------------------------------------------</font><div><font face="arial, sans-serif" color="#0b5394">Abhirup Patra</font></div><div><font face="arial, sans-serif" color="#0b5394">Postdoctoral Research Fellow</font></div><div><font face="arial, sans-serif" color="#0b5394">Department of Chemistry</font></div><div><font face="arial, sans-serif" color="#0b5394">University of Pennsylvania</font></div></div></div></div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Dec 6, 2019 at 4:40 AM Fabrizio Ferrari <<a href="mailto:ferrariruffino.fz@gmail.com">ferrariruffino.fz@gmail.com</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"><div dir="ltr"><div>Hello, that message comes out only if libxc has not been linked during compilation. Maybe you should try a make clean and recompile everything by checking that libxc stuff is properly set in the make.inc file from the beginning.</div><div>Cheers,</div><div>Fabrizio<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Dec 5, 2019 at 11:09 PM Abhirup Patra <<a href="mailto:abhirupp@sas.upenn.edu" target="_blank">abhirupp@sas.upenn.edu</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"><div dir="ltr"><div class="gmail_default" style="font-size:large">Dear QE users and developers,</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">I am using QE-6.4.1 compiled with the latest version of LibXC for relaxation and band structure calculations, which went smoothly (without spin-polarization, I could not use npsin = 2 with SCAN). However, when I am trying to compute electrostatic potentials using the "pp.x" I am getting the following error:</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Error in routine set_dft_from_name (2):<br>libxc needed for this functional</div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Do I have to make pp.x in a special way to access  LibXC? <br></div><div class="gmail_default" style="font-size:large"><br></div><div class="gmail_default" style="font-size:large">Best,</div><div class="gmail_default" style="font-size:large">Abhirup<br></div><div><div dir="ltr"><div dir="ltr"><font face="arial, sans-serif" color="#0b5394">-------------------------------------------------------------------------------------------------------------------------------------</font><div><font face="arial, sans-serif" color="#0b5394">Abhirup Patra</font></div><div><font face="arial, sans-serif" color="#0b5394">Postdoctoral Research Fellow</font></div><div><font face="arial, sans-serif" color="#0b5394">Department of Chemistry</font></div><div><font face="arial, sans-serif" color="#0b5394">University of Pennsylvania</font></div></div></div></div></div>
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