[Wien] Optical properties

Fred Nastos nastos at physics.utoronto.ca
Mon May 24 19:28:51 CEST 2004


On May 24, 2004 10:34 am, Chukwuemeka Okoye wrote:
>
> I have tried with about 7000 k-points in the IBZ but I got the same
> problem. It crashed at
>
> x opticc -so -up
>
> with the message indicated eaelier.

The easiest way for us to help is if you can find the smallest parameters
that reproduce the error (i.e. the smallest number of kpoints, the lowest 
Rmt/Kmax, etc..) and send us the structure file.  That way we can quickly
run the calculation ouselves.  Does this happen with any material you try
or only more complicated ones?  Which compiler (and version number)
do you use?





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