[Wien] wien97

[Torsten Andersen]

Hello Travis,

I may be wrong, but I believe that I remember that wien97 supports 99 
inequivalent atoms.

In any case, I would recommend you to change to wien2k, since you get 
rid of all the problems of redimensioning your programs every time you 
change any of the parameters. It is much nicer and easier to operate! 
But I should not repeat the www.wien2k.at website, so go there and look...

Best regards,
Torsten Andersen.

Travis Sefzik wrote:
> hello,
> i have a general question about wien97 - how many atoms can this program
> handle (allow in calculations).  i keep getting a segmentation fault
> when running my calculations and was wondering if this was the reason (i
> have 120 atoms).
> 
> thank you,
> travis
> 
> 
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/