[Wien] Structure optimization

[Bo Qiu]

Thanks so much!

Sincerely,
Bo

On Tue, Mar 18, 2008 at 4:10 AM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> Activate "min_lapw" in   optimize.job.
>
> Bo Qiu schrieb:
> > Dear Users and Developlers,
> >
> > Just want to ask whether if we can optimize the lattice constants and
> > the internal coordinates simultaneously using Wien2k? Thanks a lot!
> >
> > Sincerely,
> >
> > Bo
> >
> >
> > ------------------------------------------------------------------------
> >
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>
> --
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW:
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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>



-- 
Thanks and Best Wishes.

Sincerely yours,
Bo Qiu
http://web.ics.purdue.edu/~qiub/homepage/
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