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<p>Should it helpful to you, below is something I came across when
searching in some of my old notes on WIEN2k.<br>
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<div class="moz-cite-prefix"><b>5/7/2016 WIEN2k Notes</b><br>
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WIEN2k articles on the 'artificial' adjustment of the spin orbit
coupling strength, xi, using the speed of light, c (i.e., xi ∝
c^-2):<br>
<br>
C. Zeng, et al., "Linear magnetization dependence of the intrinsic
anomalous Hall effect", <a class="moz-txt-link-freetext" href="http://arxiv.org/abs/cond-mat/0606354v1">http://arxiv.org/abs/cond-mat/0606354v1</a><br>
Y. Yao, et al., "First Principles Calculation of Anomalous Hall
Conductivity in Ferromagnetic bcc Fe",
<a class="moz-txt-link-freetext" href="http://arxiv.org/abs/cond-mat/0307337v2">http://arxiv.org/abs/cond-mat/0307337v2</a><br>
<br>
Hso = xi*(S dot L)<br>
<br>
where<br>
<br>
xi = hbar<font color="#0000ff">/(2*M*c^2)*1/r*dV/dr </font>[
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/novak_lecture_on_spinorbit.pdf">http://www.wien2k.at/reg_user/textbooks/novak_lecture_on_spinorbit.pdf</a>
(equation 28) ]<br>
<br>
Spin orbit coupling strength is not an external WIEN2k input [
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06559.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06559.html</a>
] or output parameter [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09672.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09672.html</a>
].<br>
<br>
Hack Method 1:
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08972.html">https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08972.html</a><br>
Hack Method 2:
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12321.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12321.html</a>
<p></p>
<p><br>
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<p>Kind Regards,</p>
<p>Gavin</p>
<p>WIEN2k user<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 8/16/2023 3:20 PM, Samolyuk, German
D. via Wien wrote:<br>
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cite="mid:DM6PR09MB51733A107359A862959886B5AD15A@DM6PR09MB5173.namprd09.prod.outlook.com">
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Dear colleagues,</div>
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<br>
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I'm running wien2k version WIEN2K_19_LI on linux cluster. The
goal is to analyze magnetic anisotropy energy in YCo_5
intermetallic.</div>
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<br>
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As it was explained in few presentation discussing SOC
implementation in wien2K it's added in following form</div>
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<div
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\zeta ({\vec \sigma}{\vec l}), where \zeta = 1<font
color="#0000ff">/(2Mc^2) 1/r^2 dV/dr</font>.</div>
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Question: is it possible to output value \zeta for each atom,
orbital moment?</div>
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I cant find it in output files and was not able to find
following discussion in archive.</div>
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Thank you,</div>
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<br>
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German</div>
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<div id="Signature">
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<div class="BodyFragment"><font size="2">
<div class="PlainText">Dr. German D Samolyuk<br>
Materials Theory Group<br>
Materials Science & Technology Division<br>
Oak Ridge National Laboratory<br>
Post Office Box 2008<br>
Oak Ridge, TN 37831-6138<br>
(865) 241-5394<br>
(865) 241-3650 (FAX)<span
style="white-space: pre-wrap">
</span></div>
</font></div>
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