<div dir="ltr"><div>If you are using option "input_dft", check that he value you
provided is correct. If not: check the DFT label in the header of
pseudopotential files (for UPF files, search for 'Exchange_Correlation')<br><br></div>Paolo</div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Aug 24, 2016 at 11:49 AM, mohammadreza hosseini <span dir="ltr"><<a href="mailto:mhr.hosseini@modares.ac.ir" target="_blank">mhr.hosseini@modares.ac.ir</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="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">Dear all</div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal"> </div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">I am studding electronic and magnetic
properties of SnO2 clusters. I have performed relax calculations and now i
am doing SCF job using espresso v.5.1. In the scf calculations i get this
error :</div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal"> </div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal"> </div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal"> Error in
routine set_dft_from_name (1):<br>
conflicting values for igcx</div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal"> </div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">I have searched different webs in
particular espresso forum.</div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">Is it possible for you to help me
what i should do?</div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal"> </div>
<div style="font-size:13.3333px;font-family:tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal"> </div>
</div>
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