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<p>Dear Adriana,</p>
<p>it is possible to use the keyword "dft" in the "&input"
section for the ld1.x/atomic code.<br>
Setting it to</p>
<p>dft='PW86PBE'</p>
<p>will create a pseudo - at least it worked for me using QE 6.1</p>
<p>Using the input found in the beginning of the pseudo files of the
pslibrary as starting point it is actually quite simple to create
your own pseudo. Then you can use the article as a test case for
your pseudo ;)</p>
<p>Regards</p>
<p>Thomas<br>
</p>
<br>
<div class="moz-cite-prefix">On 08/10/17 16:43, Adriana Cabrera R
wrote:<br>
</div>
<blockquote
cite="mid:CA+Kao-KZJ-4tqKq3LxQQxi5ksTsscDU3gfxZSHoLQfDMGE6ZjA@mail.gmail.com"
type="cite">
<div dir="ltr">
<div><span style="font-size:12.8px">Dear PW community,</span><br>
</div>
<div><br>
</div>
I am beginner in Quantum Espresso and I want to reproduce an
article that uses the PW86PBE (GGA) exchange-correlation
functional, however I could not find it in the pseudopotentials
library (<a moz-do-not-send="true"
href="http://www.quantum-espresso.org/pseudopotentials/">http://www.quantum-espresso.org/pseudopotentials/</a>)
nor generate it using PSlibrary (ld1.x atomic code), <br>
<div>Is there any other repository of functionals or an
alternative way to generate it?</div>
<div>Thank you.</div>
<br>
Adriana Cabrera<br>
Universidad Nacional de Colombia<br>
Colombia<br>
</div>
<br>
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<pre class="moz-signature" cols="72">--
Dr. rer. nat. Thomas Brumme
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
Phillipp-Rosenthal-Strasse 31
04103 Leipzig
Tel: +49 (0)341 97 36456
email: <a class="moz-txt-link-abbreviated" href="mailto:thomas.brumme@uni-leipzig.de">thomas.brumme@uni-leipzig.de</a>
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