[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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