[DFTB-Plus-User] run the DFTB

[Bálint Aradi]

On 11/04/2011 11:12 AM, Mohammad Goodarzi wrote:
> Dear
> 
> I just installed the Ubuntu version 11
> I also have DFTB the last version with Mio (parameters)
> 
> I do not know how to prepare the dftb_in and how to run the program ,
> can you explain me ?

 See DFTB+ recipes:

http://www.dftb-plus.info/fileadmin/DFTB-Plus/public/recipes/html/

especially first calculation with DFTB+.

 Best regards,

  Bálint
-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


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