[Wien] symmetry in optimization

[L. D. Marks]

The current minimization might not keep the symmetry in a few cases; this
should be fixed shortly. Of course, if you don't converge things right
and/or have wrong variable parameters symmetry will (correctly) be lost.

On Thu, 20 Jan 2005, stargmoon wrote:

> Dear wien community,
>
> It seems that the symmetry changes during the mini_lapw process. Here I only want to optimize the internal parameters, why does the symmetry change? Doesn't WIEN keep the symmetry during minimization or did I do something wrong? (The command line I used is: min -j "run_lapw -i 50 -p -fc 1" with version WIEN2k_03)
>
> Best,
>
> Stargmoon
>
>
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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 @ northwestern . edu
http://www.numis.northwestern.edu
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