title: A comment to the nudged elastic band method.
abstract: The minimum energy path (MEP) is an important reaction path concept of theoretical chemistry, and the nudged elastic band (NEB) method with its many facets is a central method to determine the MEP. We demonstrate in this comment that the NEB does not have to lead to a steepest descent pathway (as always assumed). In contrast, as long as it is used without spring forces, it can lead to a gradient extremal.
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Quapp
authors.forename: Josep Maria
authors.initials: JM
authors.lastname: Bofill