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

[siddheshwar chopra]

Dear Sir,
Thats really wonderful. I would definitely wait for such a combined
package. Congratulations in advance to you and your entire team for this
commendable hard work.
Sir, I also need ARPACK. Where could I get it?

Regards,

On Wed, Apr 4, 2018 at 1:52 PM, Bálint Aradi <aradi at uni-bremen.de> wrote:

> 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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>



-- 
*Dr. Siddheshwar chopra,*


*M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
*Amity University, Noida, India.*
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