[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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