[Wien] run phonon
Marco Schowalter
Marco.Schowalter at ua.ac.be
Fri May 27 08:25:01 CEST 2005
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
>
>
>
> ------------------------------------------------------------------------
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
More information about the Wien
mailing list