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<p>Dear All</p>
<p>The problem is solved and was related to one stupid human
mistake. <br>
</p>
It was necessary to generate a kmesh without adding inversion
(time-inversion symmetry). <br>
Indeed, as mentionned in the userguide when using kgen program:<br>
<br>
<div class="moz-text-html" lang="x-western">
<li> <b>"add inversion" ?</b> This is asked only when inversion
is NOT present.
<ul>
<li> Say <b>"YES"</b> in all cases except when you do <b>spin-polarized
(magnetic) calculations WITH spin-orbit coupling </b>
(this breaks time-inversion symmetry and thus one MUST NOT
add inversion symmetry (eigenvalues at +k and -k may be
different). </li>
</ul>
<p>If you properly generate the kmesh for the spin-orbit
calculations by doing : x kgen -fbz, then you obtain a
symmetric magnetic anisotrop. In conclusion the asymmetry I
obtained was due to an improper definition of the kmesh
(adding artificially time-inversion). <br>
</p>
</li>
</div>
<p>I want to thank all the participants who answered to my question.
It was essential to identify such a mistake which has a huge
impact on the results. <br>
</p>
<p>Best wishes</p>
<p>Xavier<br>
</p>
<p><br>
</p>
<br>
<div class="moz-cite-prefix">Le 10/01/2018 à 10:47, Xavier
Rocquefelte a écrit :<br>
</div>
<blockquote
cite="mid:02511a87-c0bb-6022-d7f9-5fa1483ab2cf@univ-rennes1.fr"
type="cite">Dear Lyudmila
<br>
<br>
The fact we have a small angle with axes is expected (also
observed experimentally). It is related to the monoclinic symmetry
of the system which permits it. However, you gave me an idea that
I will test now and comment soon ;)
<br>
<br>
Cheers
<br>
<br>
Xavier
<br>
<br>
Le 10/01/2018 à 10:40, Lyudmila a écrit :
<br>
<blockquote type="cite">10.01.2018 13:36, Lyudmila wrote:
<br>
<blockquote type="cite">I see in the FM calculation also a
slightly non-symmetric curve, isn't it?
<br>
</blockquote>
<br>
I meant the small angle with axes.
<br>
<br>
<blockquote type="cite">Best wishes
<br>
Lyudmila Dobysheva
<br>
</blockquote>
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