Error in running MEPGS calculation
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9:54:20 AM PST - Tue, Dec 2nd 2014
Quote:Niri
Nov 26th 5:23 pm
Hi Pansy,
There are some issues with the MEPGS code. My suggestion would be to use the NEB or String approach. Both these approaches give you the minimum energy pathway and transition state. They are also efficient.
Best,
-Niri
Thanks .... I will try the string method
Pansy