[Wannier] Thermoelectric properties at constant chemical potential

Abhijeet Jaysingrao kale ic39253 ic39253 at imail.iitm.ac.in
Wed Sep 10 08:50:44 CEST 2025


Dear Wannier90 community,

I am Abhijeet from IIT Madras (India) attempting to study TE properties at
varying temperatures but at a particular (constant) carrier concentration.
I am converting desired carrier concentration into chemical potential to
input the BoltzWann module. Thus, I would like to know how to compute these
TE properties at constant chemical potential (with varying temperature),
since, in the input file for BoltzWann, one needs to input boltz_mu_min,
boltz_mu_max and boltz_mu_step.

I understand the chemical potential is influenced by temperature and the
other code BoltzTraP2 offers the functionality to compute TE properties across
a range of temperatures at a constant carrier concentration. How can we
achieve this in BoltzWann?

Regards,
Abhijeet.
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