[Pw_forum] for q2r.x errors
Paolo Giannozzi
giannozz at nest.sns.it
Fri Aug 29 18:54:39 CEST 2003
On Friday 29 August 2003 01:23, ma Yanming wrote:
> I am just wondering when the new version will come out.
in a few days (really!). Note that the version under development
is always accessible via anonymous CVS.
Coming back to your original question:
> from init : error # 1
> nc already filled
> stopping ...
> My question is
> If my input atomic positions are wrong,will this error message occur?
No. This error has nothing to do with atomic positions. Only
the lattice symmetry and the q-point set used to calculate
phonons are relevant here.
Paolo
--
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050509412
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