[ase-users] NEB using Vasp

[Yohannes, Asfaw Geremew (SCC)]

Dear ASE users,


I am trying to run NEB calculation for the diffusion of oxygen atom from one site to another on nanoparticle using vasp calculator. The calculation is converged but when I try to visualize the trajectory with "ase gui"?tools?NEB, it does not work.

I got the following error message when I try ase gui:

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'The property "{0}" is not available.'.format(name))
ase.calculators.calculator.PropertyNotImplementedError: The property "forces" is not available.

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 I followed the NEB tutorials given in ASE and used similar procedure. I have attached herein the script I used for the calculation. The initial and final structures trajectory file was pre-optimized.

 Did I do something wrong here? I appreciate your help in this regard.


best regards,

Asfaw


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