[Wien] combined effective mass

[uchit chaudhary]

Dear Experts,

I am using the WIEN2k *mstar* code with spin–orbit coupling (SOC) to
calculate the effective masses at the valence-band maximum (VBM) and
conduction-band minimum (CBM).

For my FCC cubic material, the *VBM is located at Gamma*, while the *CBM is
located at X*. From the minv_c-up.dat output, I obtained the following
effective masses.

For the *VBM at Gamma (k-point 47)*, I identified three pairs of bands
corresponding approximately to the heavy-hole (HH), light-hole (LH), and
split-off (SO) bands:

   - Bands 48–47: 1/0.4831 = 2.0699 m0 — HH
   - Bands 46–45: 1/4.875 = 0.2051 m0 — LH
   - Bands 44–43: 1/1.716 = 0.5827 m0 — SO

For the *CBM at X (k-point 101)*, I obtained:

   - Bands 50–49: 1/1.309 = 0.7639 m0

My main question is how I should calculate the *combined density-of-states
(DOS) effective mass* for the VBM and CBM in this situation.

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?

 Based on my values above, what would be the correct combined DOS effective
mass for the VBM and CBM?

I would greatly appreciate your guidance on the correct procedure.

Thank you for your help.

Thank you for your guidance.

Best regards,
wien2k user
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