[QE-users] NEB.X

Eleftheria Gkogkosi elefthe at mail.ntua.gr
Sun Apr 5 20:44:44 CEST 2020


Good evening,

Reference is made to the nudge elastic band method as implemented in 
quantum espresso with "neb.x"

How can you illustrate the contour plot with the Mueller potential 
energy surfaces?

This does not seem to be readily included in the output files of a 
relevant job.

Many thanks,

-- 
Eleftheria Gkogkosi

Applied Mathematics & Physics Dept.
National Technical University of Athens
http://users.ntua.gr/elefthe


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