[DFTB-Plus-User] First and second hyperpolarizabliities

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Wed Jul 30 13:12:02 CEST 2014


Dear Sharma,

> Can I calculate the first and second hyperpolarizabilities using DFTB+. If yes, can you provide input section for that.

This is not part of DFTB+ (yet). I'd suggest to ask Sébastien Nénon, who
sent the reference the other day, directly whether they are interested
in a colaboration with you on calculating those properties.

  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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