[Wien] Effective mass

[Rubel, Oleg]

mstar computes the six components of the 1/m_ij tensor, as well as the principal components of the 1/m tensor.
For the conductivity, please check PY-BerryAHC (https://arxiv.org/abs/2504.00123v2). My understanding is that they implemented the Kubo formula for electrical conductivity.

Oleg

> -----Original Message-----
> From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> On Behalf Of
> Laurence Marks
> Sent: Wednesday, April 8, 2026 5:32 PM
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> Subject: [Wien] Effective mass
> 
>   Caution: External email.
> Is there a simple way of calculating the conventional effective mass tensor?
> Unfortunately it seems that mstar does a decomposition but does not in fact
> calculate the standard conduction/valence values, one would have to do a fair
> amount of post-processing to identify the relevant range of k-values and
> energies.
> 
> --
> 
> Emeritus Professor Laurence Marks (Laurie) Northwestern University
> 
> Webpage <http://www.numis.northwestern.edu>  and Google Scholar link
> <http://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en>
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Györgyi