NEB calculates the activation energy or energy barrier?
Posted: Wed Dec 09, 2009 12:56 am
Hello.
I wanna calculate the activation energy.
Recently, I studied the activation energy was not equal to energy barrier.
The activation energy indicates the sum of the formation energy and migration energy barrier.
If that is true, which one does NEB calculate the activation energy or migration energy barrier?
Bye.
I wanna calculate the activation energy.
Recently, I studied the activation energy was not equal to energy barrier.
The activation energy indicates the sum of the formation energy and migration energy barrier.
If that is true, which one does NEB calculate the activation energy or migration energy barrier?
Bye.