[Wien] structural optimization

[L. D. Marks]

Please read the FAQ/notes on mini, and also search the mailing list. After 
that if you still have problems please repost with the relevant 
information from case.outputM.

On Mon, 12 Dec 2005, hazem salem wrote:

> Dear Wien users,
>                          I'm doing structural optimization or a surface using the command:
>
>  min_lapw   -j "runsp_lapw -I  -i 100 -fc 1.0", for the topmost two layers, however my calculations stop with forces larger than 1 , about 15 or sometimes more , so what could be the reason of stopping before convergence is obtained?
>
>  thank you
>  Hazem
>
>
>
> ---------------------------------
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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu
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