[Pw_forum] transition state

ÇÍÓÇä ÚÑíÞÇÊ ihsanas at yahoo.com
Mon Apr 30 19:16:54 CEST 2007


Thank you for replaying ,NEB take much time I`m trying
to built potential surface by taking many scf
calculations for different position for reactant by
changing the bond length ,angles and distance ,and
then I`ll try to find saddle point .Is this way is
correct ,how could I know that the atomic position are
wrong .
Thanks 
Ihsan 

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