[Wien] Effective mass

[Laurence Marks]

It gives them for each band. The conventional definition of electron & hole
effective masses are at the VB and CB edges, which is what I want, not the
decomposition by band.

On Wed, Apr 8, 2026 at 4:52 PM Rubel, Oleg <rubelo at mcmaster.ca> wrote:

> 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
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-- 
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
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