[Pw_forum] something strange with my nscf and projwfc calculations

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Fri Jul 18 18:58:12 CEST 2008


On Fri, 18 Jul 2008, Eyvaz Isaev wrote:

EI> Hi,
EI> 
EI> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
EI> >      from cdiaghg : error #      1933
EI> >      info =/= 0
EI> > 
EI> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
EI> 
EI> Great! Now this message is reported N+1 times.
EI> 

EI> Please read carefully the mail archive and troublshootings in the 
EI> UserGuide (page 55: pw.x stops with error in cdiaghg or rdiaghg).

...and always make sure you are using the lastest version of the code,
i.e. version 4.0.1 as of this writing. 

cheers,
  axel.

EI> 
EI> Bests,
EI> Eyvaz.
EI> 
EI> -------------------------------------------------------------------
EI> Prof. Eyvaz Isaev, 
EI> Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
EI> Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
EI> Condensed Matter Theory Group, Uppsala University, Sweden 
EI> Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
EI> 
EI> 

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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