[DFTB-Plus-User] Regarding installing dftb+

[Bálint Aradi]

Dear Anant,

download the precompiled package:

https://github.com/dftbplus/dftbplus/releases/download/20.1/dftbplus-20.1.x86_64-linux.tar.xz

unpack it with

tar -x -v -J -f dftbplus-20.1.x86_64-linux.tar.xz

You should change your PATH and PYTHONPATH variables, to make sure 
everything works smoothly. Assuming that you stored and extracted the 
archive in the SOMEDIR folder (and that you use the BASH-shell), do:

export PATH=SOMEDIR/dftbplus-20.1.x86_64-linux/bin:$PATH
export 
PYTHONPATH=SOMEDIR/dftbplus-20.1.x86_64-linux/lib/python3.6/site-packages:$PYTHONPATH

You may add those lines also to your .bashrc, if you need it often.

Best regards,

Bálint



On 25.08.20 11:19, Anant Srivastava wrote:
> Dear Sir/Madam,
>                           I am very new to DFTB+. I am not able to 
> understand how to install DFTB+ 20.1. I am trying from both precompiled 
> excutable and source code.
> Please help me out here.
> 
> 
> 
> 
> *Anant Srivastava*
> *Research Scholar*
> *Materials Science Engnieering*
> *IIT Kanpur
> *
> */
> /*
> 
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> DFTB-Plus-User at mailman.zfn.uni-bremen.de
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> 


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