[DFTB-Plus-User] saddle point

[Krishna Mohan G.P.]

Dear Ali,

By using ASE [from https://wiki.fysik.dtu.dk/ase/] you can find Transition state.
Once I tried it and it performed good enough...

best

Krishna Mohan G P


________________________________
 From: ali sadeghi <ali.sadeqi at gmail.com>
To: User list for DFTB+ related questions <dftb-plus-user at dftb-plus.info> 
Sent: Friday, December 27, 2013 2:47 AM
Subject: [DFTB-Plus-User] saddle point
 


Dear All,

I'm wondering if there is an implementation for a saddle point search.

Thanks in advance,
Ali Sadeghi


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