[DFTB-Plus-User] actinides with DFTB+

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Thu Apr 26 07:42:28 CEST 2012


Dear Zsolt,

> 
> I would like to now if DFTB+ can be used for actinide elements (such as
> U, Np, Pu).

 Unfortunately there are no parametrizations for those elements so far.

  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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