[Wien] effective mass calculation?
georg at chem.au.dk
georg at chem.au.dk
Mon Oct 10 15:52:21 CEST 2005
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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