[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 
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