[Wien] Min jobs

Travis Sefzik tsefzik at chemistry.ohio-state.edu
Wed Apr 13 19:22:30 CEST 2005


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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tsefzik at chemistry.ohio-state.edu
www.chemistry.ohio-state.edu/~tsefzik

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