<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<p>Dear Pablo</p>
<p>It really depends on the property you are considering:<br>
</p>
<p>1. In terms of chemical bond, the effect of SO on 3d and 4f
elements will be negligeable. <br>
</p>
<p>2. In terms of spectroscopy it can be significant if you have
access to d3/2 and d5/2 states, but also p1/2 and p3/2 ... and
similar for f states</p>
<p>3. In terms of magnetic properties, it will be negligeable for
the magnetic exchange couplings but not for the anisotropy and
thus the easy magnetization direction.</p>
<p><br>
</p>
<p>Thus it really depends on the calculation you plan to do and the
property you are looking for. <br>
</p>
<p>Best Regards</p>
<p>Xavier<br>
</p>
<br>
<div class="moz-cite-prefix">Le 13/03/2018 à 02:44, delamora a
écrit :<br>
</div>
<blockquote
cite="mid:DM5PR0601MB3671BA8C195DB141AF9AD225CBD20@DM5PR0601MB3671.namprd06.prod.outlook.com"
type="cite">
<meta http-equiv="Content-Type" content="text/html;
charset=windows-1252">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
<div id="divtagdefaultwrapper"
style="font-size:12pt;color:#000000;font-family:Calibri,Helvetica,sans-serif;"
dir="ltr">
<div id="divtagdefaultwrapper" style="font-size: 12pt; color:
rgb(0, 0, 0); font-family: Calibri, Helvetica, sans-serif,
"EmojiFont", "Apple Color Emoji",
"Segoe UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;"
dir="ltr">
<div id="divtagdefaultwrapper" style="font-size: 12pt; color:
rgb(0, 0, 0); font-family: Calibri, Helvetica, sans-serif,
"EmojiFont", "Apple Color Emoji",
"Segoe UI Emoji", NotoColorEmoji, "Segoe UI
Symbol", "Android Emoji", EmojiSymbols;"
dir="ltr">
<font color="black" size="3"
face="Calibri,Helvetica,sans-serif,EmojiFont,Apple Color
Emoji,Segoe UI Emoji,NotoColorEmoji,Segoe UI
Symbol,Android Emoji,EmojiSymbols"><span
style="font-size:12pt;"
id="m_4958301253565371451divtagdefaultwrapper"><font
color="black" size="3"
face="Calibri,Helvetica,sans-serif,EmojiFont,Apple
Color Emoji,Segoe UI Emoji,NotoColorEmoji,Segoe UI
Symbol,Android Emoji,EmojiSymbols"><span
style="font-size:12pt;"
id="m_4958301253565371451divtagdefaultwrapper">Dear
WIEN2k community,</span></font></span></font><br>
</div>
<div style="font-size: 12pt; color: rgb(0, 0, 0); font-family:
Calibri, Helvetica, sans-serif, "EmojiFont",
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols;" dir="ltr">
I know that spin-orbit coupling in 4d and 5d is important, <br>
</div>
but how important is SOC for 3d and 4f elements?</div>
<div style="font-size: 12pt; color: rgb(0, 0, 0); font-family:
Calibri, Helvetica, sans-serif, "EmojiFont",
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols;" dir="ltr">
<br>
</div>
<div style="font-size: 12pt; color: rgb(0, 0, 0); font-family:
Calibri, Helvetica, sans-serif, "EmojiFont",
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols;" dir="ltr">
Yours</div>
<div style="font-size: 12pt; color: rgb(0, 0, 0); font-family:
Calibri, Helvetica, sans-serif, "EmojiFont",
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols;" dir="ltr">
<br>
</div>
<div style="font-size: 12pt; color: rgb(0, 0, 0); font-family:
Calibri, Helvetica, sans-serif, "EmojiFont",
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols;" dir="ltr">
Pablo de la Mora<br>
<div style="font-size: 12pt; color: rgb(0, 0, 0); font-family:
Calibri, Helvetica, sans-serif, "EmojiFont",
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols;" dir="ltr">
<br>
</div>
</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<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>
<br>
</body>
</html>