Question on the unit when simulating with the electric field...
Posted: Thu Nov 11, 2010 3:19 am
There are 3 flags that I should concern:
EFIELD= xxx (units eV/A)
LDIPOL=.TRUE.
IDIPOL= direction of field
My question is about the EFIELD flag.
Its unit is eV/A, which should be the intensity of the electric field, right?
But when doing the electrochemical experiment, I just need to add a potential between the working electrode (WE) and reference electrode (RE), with the unit of "V"...There is no distance...
My question is how to convert these two units?
Thanks a lot!!
EFIELD= xxx (units eV/A)
LDIPOL=.TRUE.
IDIPOL= direction of field
My question is about the EFIELD flag.
Its unit is eV/A, which should be the intensity of the electric field, right?
But when doing the electrochemical experiment, I just need to add a potential between the working electrode (WE) and reference electrode (RE), with the unit of "V"...There is no distance...
My question is how to convert these two units?
Thanks a lot!!