[Wien] run phonon

[Chandrika]

Dear Marco
Thanks. That worked!
Chandrika

----- Original Message -----
From: "Marco Schowalter" <Marco.Schowalter at ua.ac.be>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Friday, May 27, 2005 11:55 AM
Subject: Re: [Wien] run phonon


> Dear Chandrika,
>
>
>
> Chandrika wrote:
> > Hello Wien Users,
> > After importing a .d45 file for a supercell generated by Phonon, I did
the init_phonon_lapw. Subsequently, I edited the run_phonon file only to
remove -p (non-parallel case). I did no other editing. Then I tried to run
using ./run_phonon but I got an error message ----   too many ( 's. Can
anyone please suggest what that means?
> >
>
> I think, the problem occurs during the execution of the "foreach" loop
> in the run_phonon script. You should write the "foreach" command in one
> line and not spread out to several lines as it is written for the
> default script.
>
> It should look like this:
>
> foreach i ( 1 2 3 4 )
>   cd case_$i
>   echo running case_$i
> #
> # select other options if necessary
>    x dstart -c -p
>    run_lapw -I -i 40 -p -fc 0.1
> .
> .
> .
>
>
> Cheers
>
> Marco
>
>
> > Also the case_0 directory is almost empty. Is that okay?
> > Thanks for your suggestions.
> > Chandrika
> >
> >
> >
> > ------------------------------------------------------------------------
> >
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