[DFTB-Plus-User] As2S3 optimization

[Bálint Aradi]

Dear Veerpal,

> How can i know that in parameterization which shell is used for maximum
> angular momentum ? or what configuration is used?

Check the XML-documentation at the end of the homonuclear SK-files
(As-As.skf, S-S.skf, etc.). Look for the terms I copied into my previous
email.

  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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