[DFTB-Plus-User] Error in installation

[Bálint Aradi]

> in my case I didn't got the two column results. In case of dos I got
> two column filename.dat file and I plotted the Graph as "xmgrace
> filename.dat". But the command was not working for this band_tot.dat
> file. Now the issue has been solved by the command "xmgrace -nxy
> band_tot.dat".

OK, that explains the issue. Yes the band structure file contains
multiple y-values (bands) for each x-coordinate (k-point), so you need
the -nxy option when using xmgrace.

Actually, you can also use the command line plotting tool "plotxy" from
the DFTB+ repository, if you wish. That would automatically show all
bands unless you tell it otherwise.

Best regards,

Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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