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<p>If your referring to the<span style="left: 251.175px; top:
842.758px; font-size: 16.6044px; font-family: sans-serif;
transform: scaleX(1.01404);"> magnetocrystalline anisotropy (</span><span
style="left: 251.175px; top: 842.758px; font-size: 16.6044px;
font-family: sans-serif; transform: scaleX(1.01404);"><span
style="left: 251.175px; top: 842.758px; font-size: 16.6044px;
font-family: sans-serif; transform: scaleX(1.01404);">MCA)</span>
</span>energy equation <span style="left: 781.59px; top:
466.859px; font-size: 16.6044px; font-family: sans-serif;
transform: scaleX(0.978407);">2.77 on page 20 in:<br>
</span></p>
<p><a class="moz-txt-link-freetext" href="https://www.ifw-dresden.de/userfiles/groups/itf_folder/Theses/carsten_neise_phd.pdf">https://www.ifw-dresden.de/userfiles/groups/itf_folder/Theses/carsten_neise_phd.pdf</a></p>
<p>I remember that there was this post on MAE:<br>
</p>
<p><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09408.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09408.html</a><br>
</p>
<div class="moz-cite-prefix">On 5/20/2020 12:21 AM, Xavier
Rocquefelte wrote:<br>
</div>
<blockquote type="cite"
cite="mid:e1777ade-eead-1930-052a-99e74972611d@univ-rennes1.fr">And
another comment. Applying the magnetization along a high symmetry
direction does not mean that you will apply SOC in the direction
for which the effect will be maximum... It is why, people study
the magnetocrystalline anisotropy energy (MAE).
<br>
<br>
Best regards
<br>
<br>
Xavier
<br>
<br>
Le 20/05/2020 à 08:07, Peter Blaha a écrit :
<br>
<blockquote type="cite">I think nobody really understands your
question.
<br>
<br>
Obviously for a hexagonal system the c-axis is a very high
symmetry direction. This corresponds to 0 0 1
<br>
<br>
Of course, the a (or b) direction is also a special direction,
but it will break hexagonal symmetry as the a and b directions
will no longer be equivalent. So when you choose 1 0 0, in many
cases the symmetry will be automatically reduced by symmetso.
<br>
<br>
<br>
Am 20.05.2020 um 05:30 schrieb Nileema Sharma:
<br>
<blockquote type="cite">Dear WIEN2k users and developers!!
<br>
I am working on a hexagonal system, I would like to know in
which direction(s) should I apply SOC so that it would
represent high symmetry crystallographic direction, for the
calculation of the energy in that particular direction?
<br>
Best regards.
<br>
Thank you!!
<br>
Nileema Sharma
<br>
</blockquote>
</blockquote>
</blockquote>
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