[DFTB-Plus-User] analytical second derivative

常盤広明 tokiwa at rikkyo.ac.jp
Wed Sep 25 16:55:45 CEST 2013

Dear DFTB+ developer:


I try to determined transition states by using the DFTB calculations.
So, I would like to calculate "analytical" second energy derivative (Hessian)
by the DFTB method.
Is it possible?

Best Regards,
                                  Hiroaki TOKIWA, Rikkyo University

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