[Pw_forum] q2r.x for bigger systems
eyvaz_isaev at yahoo.com
Wed Feb 2 10:57:06 CET 2005
> My problem is that it doesn't happen anything when
> running it.
It is not so clear what actually happens. If
absolutly nothing happens with command q2r.x <q2r.in
>out it means that it is waiting for input from
command line which is very unlikely. In my expertize
there must be a message from q2r.x if something goes
wrong with input file.
May be you just entered q2r.x without "<q2r.in"?
One comment not related to the problem. Set up
"zasr=.true." if you like to get correct frequencies
for the Gamma point. By the way, did you calculate the
dynamical matrix for the Gamma point? From your input
it is not clear.
> Input file:
> cat > q2r.in <<EOF
> Hopefully it's only some kind of input problem.
> Anyone encountered this kind of problem?
> Best regards
> Vasile Chis
> Interface Modelling Group
> Department of Physics
> Göteborgs Universitet
> email :cvasse at fy.chalmers.se
> Pw_forum mailing list
> Pw_forum at pwscf.org
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