[Wien] effective mass calculation?

[Alan]

Hi Gorge,
 It is really a good tool to calculate the transport porperties of
materials, but is it accurate enough? Is it useful for anisotropic
materials?
 Best regards Alan

 2005/10/10, georg at chem.au.dk <georg at chem.au.dk>:
>
> Hi Benali
>
> You can have a look at the BoltzTrap code.
> http://www.chem.au.dk/~webuorg/new/groups/gm/gm.html
>
> It calculates effective mases. If you need it at a specific k-point you'll
> need
> to hack the code. Look in the bands.f subroutine for inspiration.
>
> I'm not really prepared to support the code at the moment
>
> Best wishes Georg
> --
> Georg Madsen
> Department of Chemistry
> Aarhus University
> DK-8000 Århus C
> Denmark
> tlf (+45) 89423885
>
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