[DFTB-Plus-User] DFTB-Plus-User Digest, Vol 69, Issue 2

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Thu Oct 10 20:17:26 CEST 2013

> thank you for your swift response.
> Since I am new to DFTB, I am not quite familiar with the terms you
> mentioned in your good comment, namely, Shell Script and typo.
> FYGI, I have placed the HSD files for source as input file for DFTB in a
> specific folder, named "source", afterwards, I have put the pre-compiled
> binary code for DFTB in the a/m folder, and then, I  have run the command
> below:
> ./dftb+
> Subsequently the same process has been carried out for the drain.
> Then, out of those directories, I made a folder named "device", after
> that, I ran the HSD file for device by entering this command in terminal:
> ./dftb+
> When I faced the error below:
> " Please create a directory called contacts,
> libnegf not initialized"

Just create a subfolder "contacts" (and a subfolder "GS") within your
"device" folder.

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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