[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>
--
=======================================================================
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
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.
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