[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
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