[Wien] cannot run opimize

[Shu Miao]

Thanks Rong. This works.

Shu Miao

On Sat, 30 Sep 2006, Rong Yu wrote:

> Miao Shu,
> You can try './optimize.job' or modify your environment variable PATH to include the present working directory.
> Rong
>
> > Dear Wien2k users
> > I got a strange problem in optimizing the structure. I set up the
> > optimize.job file. But when I type 'optimize.job' in commandline.
> > It says
> > "sh: optimize.job: command not found". So I run it from w2web by
> > clicking"run optimize.job". It works, but lapw2 crashed in the 1st
> > scf with output
> > cp: cannot stat `.in.tmp': No such file or directory
> > rm: cannot remove `.in.tmp': No such file or directory
> > rm: cannot remove `.in.tmp1': No such file or directory
> > ERROR status in mg2si_vol_-15.0
> >
> > However, if I just run scf with "run_lapw -p", it runs well.
> > Actually, scf
> > converged well without optimization. I just want to optimize the
> > structureto get more accurate results. But above problem always
> > occur. Anyone can
> > help to sort out what is the possible cause?
> >
> > Thank you very much
> >
> > Shu Miao
> >
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> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
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