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Hi,<br id="lineBreakAtBeginningOfMessage">
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<div>1. You should convert the carrier concentration into a chemical potential by integrating the product of the Fermi-Dirac distribution function and of the DOS, and looking for the chemical potential that gives you the expected number of electrons (e.g. with
a bisection algorithm).</div>
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<div>2. Internally it should work, but indeed the code only prints the upper triangle for sigma, Sigma*S and kappa (electronic contribution) to thermal conductivity. If you want to check if there is a non-symmetric part, you need to adapt the code to print
all coordinates.</div>
<div>(Note that for the Seebeck coefficient, all 9 components are reported instead).</div>
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<div>Best,</div>
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<div>Giovanni Pizzi<br>
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<div><i>Group leader, Materials Software and Data Group, PSI<br>
</i><a href="https://www.psi.ch/en/lms/people/giovanni-pizzi">https://www.psi.ch/en/lms/people/giovanni-pizzi</a></div>
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<blockquote type="cite">
<div>On 18 Jun 2025, at 12:23, Abhijeet Jaysingrao kale ic39253 <ic39253@imail.iitm.ac.in> wrote:</div>
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<div dir="ltr">Dear Wannier90 community,
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<div>I am Abhijeet from IIT Madras (India). I am using the BoltzWann module to compute thermoelectric properties of monolayer systems. I'd be grateful if anyone could suggest me on following questions:</div>
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<div>1. How to input carrier concentration range like chemical potential and temperature?</div>
<div>2. Can we use BoltzWann for thermoelectric properties of magnetic materials even though it outputs 6 components of electrical conductivity when it requires all 9?</div>
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<div>Thanks in advance.</div>
<div>Regards,</div>
<div>Abhijeet.</div>
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