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<p class="MsoNormal">Hello,</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I recently tried to perform scan calculations on qe6.6 compiled with libxc-5.1 via including
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<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Input_dft=’scan’</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">In the input. I got the following warning:</p>
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<p class="MsoNormal"> WARNING: one or more of the chosen libxc functionals depend</p>
<p class="MsoNormal"> on external parameters: their correct operation is not guaranteed.</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">How do I fix this? The user manual for QE says that I might have to fix the source code by entering in the parameters but I don’t know what they are …
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<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Best,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><a href="https://galligroup.uchicago.edu/People/hvo.php">Hien Vo</a><o:p></o:p></p>
<p class="MsoNormal">PhD Candidate<o:p></o:p></p>
<p class="MsoNormal">Chemistry Department | The University of Chicago<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
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