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<p>Sorry, I currently don't know, but wondering if you are perhaps
working with equation 11 in [1] or equation A-21 in [2] containing
mHH*, mLH*, and mSO*?</p>
[1] <a class="moz-txt-link-freetext" href="https://doi.org/10.1038/s41598-025-91800-8">https://doi.org/10.1038/s41598-025-91800-8</a><br>
[2]
<a class="moz-txt-link-freetext" href="https://scispace.com/pdf/the-theoretical-and-experimental-study-of-the-temperature-26z6ivmbco.pdf">https://scispace.com/pdf/the-theoretical-and-experimental-study-of-the-temperature-26z6ivmbco.pdf</a>
<p>Kind Regards,</p>
Gavin<br>
WIEN2k user
<div class="moz-cite-prefix"><br>
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<div class="moz-cite-prefix">On 9/11/2026 1:24 AM, uchit chaudhary
wrote:<br>
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<blockquote type="cite"
cite="mid:CABoOdi5mspjex0CWXkLixP-kecCar4sMvh19WA81DZe+Tn_x4Q@mail.gmail.com">
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<div dir="ltr"><span style="background-color:transparent">Dear
Experts,</span>
<div>
<p class="gmail-isSelectedEnd">I am using the WIEN2k <strong>mstar</strong>
code with spin–orbit coupling (SOC) to calculate the
effective masses at the valence-band maximum (VBM) and
conduction-band minimum (CBM).</p>
<p class="gmail-isSelectedEnd">For my FCC cubic material, the
<strong>VBM is located at Gamma</strong>, while the <strong>CBM
is located at X</strong>. From the <code dir="ltr">minv_c-up.dat</code>
output, I obtained the following effective masses.</p>
<p class="gmail-isSelectedEnd">For the <strong>VBM at Gamma
(k-point 47)</strong>, I identified three pairs of bands
corresponding approximately to the heavy-hole (HH),
light-hole (LH), and split-off (SO) bands:</p>
<ul>
<li>Bands 48–47: 1/0.4831 = 2.0699 m0 — HH</li>
<li>Bands 46–45: 1/4.875 = 0.2051 m0 — LH</li>
<li>Bands 44–43: 1/1.716 = 0.5827 m0 — SO</li>
</ul>
<p class="gmail-isSelectedEnd">For the <strong>CBM at X
(k-point 101)</strong>, I obtained:</p>
<ul>
<li>Bands 50–49: 1/1.309 = 0.7639 m0</li>
</ul>
<p class="gmail-isSelectedEnd">My main question is how I
should calculate the <strong>combined density-of-states
(DOS) effective mass</strong> for the VBM and CBM in this
situation.</p>
<p>In particular, I am unsure how the SOC-related band pairs
should be counted. Since the SOC calculation produces two
bands with very similar/equal effective masses, should these
be treated as a spin degeneracy of 2, or should each HH, LH,
and SO effective mass be counted only once when calculating
the combined DOS effective mass?</p>
<div>
<p class="gmail-isSelectedEnd"> Based on my values above,
what would be the correct combined DOS effective mass for
the VBM and CBM? </p>
<p class="gmail-isSelectedEnd">I would greatly appreciate
your guidance on the correct procedure.</p>
<p>Thank you for your help.</p>
<p class="gmail-isSelectedEnd">Thank you for your guidance.</p>
<p>Best regards,<br>
wien2k user</p>
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