[Pw_forum] matdyn.x problem
Paolo Giannozzi
giannozz at nest.sns.it
Wed Aug 18 12:49:42 CEST 2004
On Tuesday 17 August 2004 16:28, Subhradip Ghosh wrote:
> I was trying to run matdyn.x for an artificial structure. I am
> getting the following error in the very beginning:
> from matdyn : error # -1
> non-analytic term for q=0 missing !
apparently your force contants file does not contain information
on dielectric tensor and effective charges. They should be there
after the list of atomic positions. See routine "readfc" in
pwtools/matdyn.f90
Paolo
--
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
Piazza dei Cavalieri 7 I-56126 Pisa, Italy
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