[Wien] TEMP weights for optics

georg@chem.au.dk georg at chem.au.dk
Mon Oct 2 13:21:14 CEST 2006


Hi all

 I was trying to simulate the influence of temperature on the optical
conductivity. As far as I understand the simplest way to do this would be to
simply rerun joint with different weight files corresponding to different fermi
functions. 

However, I can see that lapw2.F only outputs the weight files if the 
TETRA,ROOT or ALL  integration routines. Alas using TEMP doesn't give a weight
file. Is there any reason for this?

 Best wishes
   Georg
-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885
http://www.chem.au.dk/~webuorg/gm


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