[DFTB-Plus-User] Generating DOS error

Bálint Aradi aradi at uni-bremen.de
Fri Nov 30 10:38:46 CET 2018


Dear Sarah,

> I am trying to generate DOS file through the command
> "dp_dos band.out dos.dat"

Which version of DFTB+ do you use? And which kind of system do you
calculate?

We had a bug in dptools earlier, but this should have been fixed in the
lastest DFTB+ release. So please try the most recent DFTB+ release
(18.2). If bug is still there, could you please send me your self
contained input, so that I can check it?

  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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