[Pw_forum] matdyn.x problem

Subhradip Ghosh subhra at uiuc.edu
Wed Aug 18 15:42:51 CEST 2004

Thank you very much. But, I am working with metallic system.
Therefore, I had set the switch has_zstar=F. I thought I did
not need to put any information on dielectric tensor and
effective charges.

Am I thinking wrong?

---- Original message ----
>Date: Wed, 18 Aug 2004 12:49:42 +0200
>From: Paolo Giannozzi <giannozz at nest.sns.it>  
>Subject: Re: [Pw_forum] matdyn.x problem  
>To: pw_forum at pwscf.org
>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 
>Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
>Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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                      Subhradip Ghosh
                   Post doctoral Fellow
                   Department of Materials Science & Engineering
                   University of Illinois at Urbana-Champaign
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