[Pw_forum] matdyn.x problem

[Subhradip Ghosh]

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 
>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
>_______________________________________________
>Pw_forum mailing list
>Pw_forum at pwscf.org
>http://www.democritos.it/mailman/listinfo/pw_forum
*******************************************************************
                      Subhradip Ghosh
                   Post doctoral Fellow
                   Department of Materials Science & Engineering
                   University of Illinois at Urbana-Champaign
********************************************************************
Office                                       Home
**********************************************************************
MSEB 312C                         *    2001 South Orchard Street Apt D
1304 W Green street               *    Urbana, IL-61801
Urbana, IL-61801                  *     Phone # 2173841824
Phone # 2173336584                *    E-mail: subhradip at yahoo.com
E-mail: subhra at uiuc.edu           *
************************************************************************