[ase-users] AutoNEB minimal working example

Jens Jørgen Mortensen jjmo at dtu.dk
Mon Nov 25 08:26:21 CET 2019


On 11/20/19 4:48 PM, Louie Slocombe via ase-users wrote:
> Dear ASE users,
> 
> I am new to ASE's AutoNEB functionality and would like to learn how to 
> use it. Would anyone be kind enough to share a minimal working example?

Only thing I could find is this:

     https://gitlab.com/ase/ase/blob/master/ase/test/autoneb.py

Also check out this project:

     https://github.com/zadorlab/sella

Jens Jørgen

> 
> Many thanks in advance,
> 
> Louie
> 
> ---
> 
> Louie Slocombe
> 
> PhD Candidate in Theoretical Physics
> 
> Leverhulme Quantum Biology Doctoral Training Centre
> 
> University of Surrey
> 
> GU2 7XH Guildford
> 
> United Kingdom
> 
> Office: 03AZ04
> 
> Email: l.slocombe at surrey.ac.uk <mailto:l.slocombe at surrey.ac.uk>
> 
> 
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