NEB under electric field

Vasp transition state theory tools

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whdxsn
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Joined: Fri Dec 04, 2009 2:30 am

NEB under electric field

Post by whdxsn »

I want to study the effect of external electric field on the diffusion process on the surface.
I plan to add normal electric field tags(EFIELD, LDIPOL,IDIPOL) in vasp into INCAR to calculate transition barrier under electric field.
Is it reasonable to do this?
thanks
graeme
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Re: NEB under electric field

Post by graeme »

yes
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