[Wien] Min jobs

[georg at chem.au.dk]

In Tic both neither of the atoms have free parameters. 
You could try TiO2


  Georg
Quoting Travis Sefzik <tsefzik at chemistry.ohio-state.edu>:

> WIEN users,
> 
> I am hoping to toy around with the min script (possibly even x optimize). 
> Could anybody suggest to me crystal systems that will converge quickly to
> test
> these scripts?  TiC described in the WIEN manual does not seem to work well
> with the "min" program ... unless possibly I am doing something terribly
> wrong
> (should this be a good system?).
> 
> Thanks,
> Travis
> 
> -- 
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-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885