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- From: kamel kassa <kassalidz@yahoo.fr>
- To: forum@abinit.org
- Subject: elastic constant of chalcopyrite-
- Date: Sat, 12 May 2007 10:37:50 +0200 (CEST)
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Dears Abinit users,
I have a problem. I want to calculate the elastic
constant of chalcopyrite, but the programm stopped.
this is the attached file og the input and log files.
thanks
kamel
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Attachment:
albn0500.in
Description: 1974279186-albn0500.in
symkchk : ERROR -
k-point set must have full space-group symmetry
there is no match for kpt 1 transformed by symmetry 2
Action : change kptopt to 2 or 3 and/or change or use shiftk
shiftk = 0 0 0 is always a safe choice.
leave_new : decision taken to exit ...
- elastic constant of chalcopyrite-, kamel kassa, 05/12/2007
- Re: [abinit-forum] elastic constant of chalcopyrite-, Anglade Pierre-Matthieu, 05/12/2007
- RE : Re: [abinit-forum] elastic constant of chalcopyrite-, kamel kassa, 05/12/2007
- Re: RE : Re: [abinit-forum] elastic constant of chalcopyrite-, Anglade Pierre-Matthieu, 05/12/2007
- Re: RE : Re: [abinit-forum] elastic constant of chalcopyrite-, Anglade Pierre-Matthieu, 05/12/2007
- Re: RE : Re: [abinit-forum] elastic constant of chalcopyrite-, Anglade Pierre-Matthieu, 05/12/2007
- RE : Re: [abinit-forum] elastic constant of chalcopyrite-, kamel kassa, 05/12/2007
- Re: [abinit-forum] elastic constant of chalcopyrite-, Anglade Pierre-Matthieu, 05/12/2007
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