[CPMD-list] regarding transition state calculations with CPMD
Nagesh Babu Idupulapati
nbi002 at LaTech.edu
Mon Mar 19 19:53:02 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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