[Wien] Optical properties

Rocquefelte Xavier.Rocquefelte at cnrs-imn.fr
Fri Feb 15 07:26:15 CET 2008


Dear Igor,

You should put the number of k-points related to the full-Brillouin zone 
(i.e. 10000 in your case).

Regards

Xavier

Igor Djerdj a écrit :
> Dear all,
> I am calculating optical properties, and in order to do this I ran scf 
> as well as lapw1 and lapw2-fermi with N(k)=10000 or 841 points in 
> irreducibile wedge. In input file for optic inop I should write at the 
> very beginning the number of k points. Which number should I write 
> 10000, 841 or some third number independent from scf calculation?
> Many thanks,
> Igor
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