<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
</head>
<body>
<p> I'm not sure I understand what you want.</p>
<p>You talked about Ni nanoparticles (for a Ni HFF you may need a
better core potential), but also about Cu-4s transfered HFF (for
Cu-HFF, I don't think you need good core contributions on Ni), and
finally about PAC (usually on impurities like In or Cd ?). For
In/Cd you can also have a transfered HFF, but for this you don't
need core-potentials. It comes solely from the 4s (5s) valence
polarization. <br>
</p>
<p>The core HFF (1s,2,s3s) is introduced ONSITE by the 3d magnetic
moment, but In, Cd or Cu does not have a large onsite d-moment. <br>
</p>
<div class="moz-cite-prefix">Am 17.11.2020 um 20:14 schrieb
Wanderson Lobato Ferreira:<br>
</div>
<blockquote type="cite"
cite="mid:CAPAxSxLnxXNbtGJ0q9tfbR=zi6-wf5d=kA711JnKuva-moC2Kg@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr"><font face="arial, sans-serif">Hello Dr. Fabien
Tran and Dr. Peter Blaha. Greetings from <span
style="color:rgb(17,17,17)">hyperfine interactions
laboratory (</span></font><a
href="https://www.researchgate.net/lab/Artur-Wilson-Carbonari-Lab"
moz-do-not-send="true">https://www.researchgate.net/lab/Artur-Wilson-Carbonari-Lab</a><font
face="arial, sans-serif"><span style="color:rgb(17,17,17)">)
at Brazil. </span></font>Our group has performed PAC
measurements in Nickel nanoparticles. And I'd like to improve
our "transferred magnetic hyperfine field" predictions. As first
noticed by Blügel and emphasized By Pavel Novak (<a
href="https://doi.org/10.1103/PhysRevB.67.140403"
moz-do-not-send="true">https://doi.org/10.1103/PhysRevB.67.140403</a>):
"The calculated hyperfine field in special cases when contact
hyperfine field (Bc) is dominated by the transferred hyperfine
interaction. The Bc originates mainly from the spin polarization
of Cu 4s valence states via interactions with the magnetic
neighbors! it can be concluded that the underestimation of Bc
results mainly from the on-site contribution of the 1s, 2s, and
3s core states to the contact hyperfine field, reflecting
serious inadequacy of LSDA for the core states". </div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">Em ter., 17 de nov. de 2020 às
13:49, Wanderson Lobato Ferreira <<a
href="mailto:wlferreira@usp.br" moz-do-not-send="true">wlferreira@usp.br</a>>
escreveu:<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 dir="ltr">Dear users, how to apply the SIC of
Lundin and Eriksson (LE-SIC) or of Perdew and Zunger
(PZ-SIC) to the core states.</div>
</blockquote>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
Wien mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a>
SEARCH the MAILING-LIST at: <a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a>
</pre>
</blockquote>
<pre class="moz-signature" cols="72">--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: <a class="moz-txt-link-abbreviated" href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a>
WWW: <a class="moz-txt-link-freetext" href="http://www.imc.tuwien.ac.at">http://www.imc.tuwien.ac.at</a> WIEN2k: <a class="moz-txt-link-freetext" href="http://www.wien2k.at">http://www.wien2k.at</a>
-------------------------------------------------------------------------</pre>
</body>
</html>