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<p>Dear Sayantika, <br>
</p>
<p>modules kslice and gyrotropic were written by different people in
different times. Gyrotropic module evaluates (or at least it
should) the berry dipole excatly in accordance with the equatiuon
13.1 of the user guide, and in agreement with the paper
<a class="moz-txt-link-freetext" href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.97.035158">https://journals.aps.org/prb/abstract/10.1103/PhysRevB.97.035158</a></p>
<p>I am not sure if/why the kslice module evaluates it as negative.
<br>
</p>
<p>The degenreracy is not considered without SOC, so only one spin
channel is calculated, and one has to multiply the result by 2 to
restore spin degeneracy.</p>
<p>Regards,</p>
<p>Stepan Tsirkin,</p>
<p>University of Zurich. <br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 16.06.21 12:48, Sayantika Bhowal
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CA+C9_dBYTLWix8945gQR3KmutdE5WxNgELtcu5gTY9jg7Ub68Q@mail.gmail.com">
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<div>Dear all,</div>
<div><br>
</div>
<div>I am using the gyrotropic module to compute the Berry
curvature dipole D. Since w90 computes the <i>negative</i>
Berry curvature when kslice_task=curv (or kpath_task=curv),
and the D tensor is calculated from the Berry curvature, does
the D tensor have a <i>negative</i> sign? <br>
</div>
<div>Also, when the spin-orbit coupling is turned off, does it
consider the spin degeneracy of the non-magnetic system? Or
only one spin channel is considered? <br>
</div>
<div>Thanks in advance,</div>
<div><br>
</div>
<div>Best regards,</div>
<div>Sayantika Bhowal</div>
<div><span style="color:rgb(153,153,153)">Postdoctoral fellow<br>
</span></div>
<div><span style="color:rgb(153,153,153)">ETH, Zurich </span> <br>
</div>
</div>
<br>
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