[Wien] read error when using irrep

akara at ksu.edu akara at ksu.edu
Tue Aug 26 15:50:01 CEST 2003


> 
> You have to generate a new vector file with lapw1, based on your 30 new 
> k-points.
> 
> Best regards,
> Torsten Andersen.




Thanks for the reply. Yes I did one iteration (lapw1) with the new set,
which generates the new vector file.


A. Kara


> 
> akara wrote:
> > Hi all,
> > 
> > I have a case where I did the self-consistant calculation
> > using 8 k-points in parallel.
> > 
> > Then I used 30k points along a high symmetry direction (not in parallel).
> > Before doing so, I cleaned the scratch directory (after doing save_lapw).
> > 
> > When doing x irrep in my case directory, I got an error message
> > saying unit 10 (case.vector) not found.
> > I copied case.vector from the scratch to the case directory.
> > then I did: x irrep and this is what I got:
> > 
> > 
> > Input/Output Error 153: Input file ended
> > 
> >    In Procedure: kptin
> >         At Line: 26
> > 
> >       Statement: Unformatted READ
> >            Unit: 10
> >    Connected To: 30cu211.vector
> >            Form: Unformatted
> >          Access: Sequential
> > Records Read   : 3414
> > Records Written: 0
> > 
> > End of diagnostics
> > 
> > 
> > Please help
> > 
> > 
> > Thank you very much
> > 
> > A. Kara
> > 
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > 
> 
> -- 
> Dr. Torsten Andersen                     TA-web: http://deep.at/myspace/
> AG Hübner, Department of Physics, Kaiserslautern University, and
> Condensed Matter Theory Group, Department of Physics, Uppsala University
> Web: http://www.fysik4.fysik.uu.se/         http://www.physik.uni-kl.de/ 
> 
> 
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> 




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