[DFTB-Plus-User] Cl-skf

[Bálint Aradi]

Dear Hao,

> I have another question. Is there any skf file regarding Cl element,
> such as C-Cl and H-Cl? I can't find any in my 1.0.1 version.

 In contrast to other not fully ab initio methods, in DFTB+ the
parametrisation and the code are completely indepent. DFTB+ works with
any parameters having the right format... The parameters currently
available from us are those on the DFTB.ORG website. Unfortunately Cl
had not been parametrized yet.

 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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