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<blockquote type="cite"
cite="mid:522c-64355900-1f-123ef000@251681003">
<pre class="moz-quote-pre" wrap="">
as for the NCPP there are numerous PP for different elements, for instance, I often use the ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential) by D. R. Hamann (Phys. Rev. B 88, 085117 (2013)) which can be found on <a class="moz-txt-link-freetext" href="http://quantum-simulation.org/potentials/sg15_oncv/">http://quantum-simulation.org/potentials/sg15_oncv/</a>.</pre>
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<p>Just a little precision: there is a confusion between ONCV and
SG15. The pseudopotentials you linked are the SG15 library (M.
Schlipf and F. Gygi, Computer Physics Communications 196, 36
(2015)), they have been generated using the ONCV code by Hamann (
D. R. Hamann, Phys. Rev. B 88, 085117 (2013)). Another library
that uses the same code is the Pseudo-DOJO one.</p>
<p>Also, as we are in topic, there is a vast collection of
norm-conserving pseudoopotentials in the pslibrary of Andrea Dal
Corso, and you can find "old" norm-conserving library such as the
FHI and BHS ones by exploring the website.</p>
<p>hth<br>
</p>
<p><br>
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<blockquote type="cite"
cite="mid:522c-64355900-1f-123ef000@251681003">
<pre class="moz-quote-pre" wrap="">
Best,
Simon
Am Dienstag, April 11, 2023 14:39 CEST, schrieb PURINUT SAE-FU <a class="moz-txt-link-rfc2396E" href="mailto:purinut.saf@student.mahidol.ac.th"><purinut.saf@student.mahidol.ac.th></a>:
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<blockquote type="cite">
<pre class="moz-quote-pre" wrap="">Hello
I'm trying to calculate the dielectric functions of the materials. By searching on the internet, the dielectric functions can be calculated by using the epsilon.x code in the QE package. However, I found that there is a limitation that requires only norm-conserving pseudopotential (NCPP). I look into the pseudopotential library on these 2 websites,
1) <a class="moz-txt-link-freetext" href="http://pseudopotentials.quantum-espresso.org/legacy_tables">http://pseudopotentials.quantum-espresso.org/legacy_tables</a>
2) <a class="moz-txt-link-freetext" href="https://www.materialscloud.org/discover/sssp/table/efficiency">https://www.materialscloud.org/discover/sssp/table/efficiency</a>
but I cannot find the NCPP files. I would like to ask 1) Where can I get the NCPP files? 2) Is there a way to calculate the dielectric function of the material that applied PAW pseudopotential?
Best regards,
PURINUT SAE-FU
Ph.D. Student
Department of Physics, Faculty of Science, Mahidol University, Thailand
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