[DFTB-Plus-User] DFTB+ NEGF ... Is dftb+ executable to be used?

[Bálint Aradi]

On 04/03/18 05:46, siddheshwar chopra wrote:
> Dear Users,
> I am new to DFTB+ code. I just need to know that in DFTB+ MPI NEGF
> folder, I found "dftb+" executable. Is this the single executable needed
> to perform DFTB code along with the NEGF one? I mean I don't need to run
> the normal dftb+ code before and then run this one right?

DFTB+MPI-NEGF is a special development version based on some older DFTB+
version. It includes the full functionality of DFTB+ at that time + NEGF
based transport.

You may be interested to note that we are in the process to integrate
the NEGF-code into the official DFTB+ code, so within a few week, you
would have a version with all DFTB+ features so far and transport.

  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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