[DFTB-Plus-User] Do we need to check for negative frequencies, like in DFT?

[Bálint Aradi]

On 26.04.2018 17:20, siddheshwar chopra wrote:
> Thanks for the info. Which Driver should I use for finding Hessian? I
> tried secondderatives, but didn't understand how to further use it.

Just use

Driver = SecondDerivatives {}

Make sure, you apply it to a well converged geometry.

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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