[ase-users] NEB errors

[Dan Bai]

Hi,

I calculated NEB ,and when I run: 

neb = NEB(images, climb=True, dynamic_relaxation=True, scale_fmax=1.)
…
qn = BFGS(neb, trajectory='neb.traj')
qn.run(fmax=0.05)
or
optimizer = MDMin(neb, trajectory='neb.traj')
optimizer.run(fmax=0.05)

errors accurr as:

ase.calculators.calculator.PropertyNotImplementedError: The property "energy" is not available.

Could you help?
Thanks.

Best, 
Dan


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