[DFTB-Plus-User] NEB calculation with dftb+

[Max Ramirez]

Dear Jiang,

On Thu, 2014-12-25 at 11:58 +0800, Jiang WANG wrote:
> Dear all,
>  
> Is it possible to use the dftb+ to calculate the energy barrier of the
> reaction, just like nudged elastic band method and how?

The NEB method is implemented in ASE 

https://wiki.fysik.dtu.dk/ase/ase/neb.html?highlight=neb#ase.neb

>  
> Thanks in advance
> Jiang. 
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-- 
Cheers,
Max