<div dir="ltr">The PPs discussed in <a href="https://www.sciencedirect.com/science/article/abs/pii/S0927025614005059?via%3Dihub" target="_blank">Computational Materials Science 95 (2014) 263–270</a> may be what you are looking for. The files can be found at:<div><br></div><div><a href="http://www.mineralscloud.com/resources/repaw/index.shtml" target="_blank">http://www.mineralscloud.com/resources/repaw/index.shtml</a><br></div><div><br></div><div>Will Hewett</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Feb 6, 2022 at 9:53 PM Omer Mutasim via users <<a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</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><div style="font-family:"Helvetica Neue",Helvetica,Arial,sans-serif;font-size:13px"><div dir="ltr">Dear All</div><div dir="ltr">Greetings</div><div dir="ltr">I want to do DFT+U calculation for CeO2 surface using the PAW (GGA-PBE) used in this article ( <a href="https://pubs.acs.org/doi/10.1021/acscatal.1c01604" rel="nofollow" target="_blank">https://pubs.acs.org/doi/10.1021/acscatal.1c01604</a>).</div><div dir="ltr">But i couldn't find the PAW <span>PP file for <span><span style="color:rgb(0,0,0);font-family:"Helvetica Neue",Helvetica,Arial,sans-serif">Ce </span></span> that considers <span>4f valence electrons.</span></span></div><div dir="ltr"><span><span>All the PP files in QE page doesn't contain 4f states, so where can i find it ?</span></span></div><div dir="ltr"><span><span>Can anyone please provide me with this <span>Ce Pseudopotential file ?</span></span></span></div><div dir="ltr"><span><span><span>Regards</span></span></span></div></div></div>_______________________________________________<br>
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