[ase-users] Fwd: Reaction Coordinate for NEB calculations
Luis Sandoval
luisand at gmail.com
Sat Apr 23 16:23:57 CEST 2022
---------- Forwarded message ---------
From: Luis Sandoval <luisand at gmail.com>
Date: Mon, Jul 26, 2021 at 10:42 AM
Subject: Reaction Coordinate for NEB calculations
To: <ase-users at listserv.fysik.dtu.dk>
Hello ASE Users,
How is the reaction coordinate defined in NEB calculations? Is it a square
root of the sum of the atom-by-atom squared distances between neighbor
images?
Regards,
Lui
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