Page 1 of 1

NEB under electric field

Posted: Thu Feb 04, 2010 3:30 am
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

Re: NEB under electric field

Posted: Thu Feb 04, 2010 3:57 am
by graeme
yes