[QE-users] [SUSPECT ATTACHMENT REMOVED] why NEB goes ctraight
Maxim Arsentev
arsentev at isc.nw.ru
Wed Mar 28 11:48:20 CEST 2018
Dear QE users and developers
I've run my own NEB input based on input from examples and it goes
straight, although I know that this straight pathway is not optimal. Why
it is goes straight?
Best wishes,
Maxim Arsent'ev, Ph.D. (Chemistry)
Laboratory of research of nanostructures
Institute of Silicate Chemistry of RAS
St-Petersburg, Russia
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