[Wien] min force

[L. D. Marks]

No idea. Attch your case.outputM.

On Wed, 18 Aug 2004, WANG Yuan Xu wrote:

> Dear all，
>
> I optimized a slab structure by:
>
> PORT    0.1
> min  -NI -i 1000 -j "run_lapw -p -i 400 -fc 0.1"
>
> But after end, the force on some atoms are "3", why?
>
>
>
>
>
> Best
>
>
> WANG Yuan Xu
> wang.yuanxu at nims.go.jp
> 2004-08-18
>
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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>

-----------------------------------------------
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:L-marks at northwestern.edu
http://www.numis.northwestern.edu
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