[CPMD-list] Regarding Transition state calculations with CPMD

Nagesh Babu Idupulapati nbi002 at LaTech.edu
Wed Mar 14 21:30:17 CET 2007


Dear all

Can anybody please let me know if I can request a transition state  
search using CPMD program for a reaction if I have the optimum  
geometries of reactant and product.

Regards

Nagesh.

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