Hello Luis,
Siesta solves the Poisson equation using ffts, so the zig-zag
potential due the electric field is allowed in
the directions where there is vacuum. But siesta doesn't introduce a
fictitious dipole charge (as far as I know).
Maybe if you change the cell geometry and the values of the electric
field you will be able to simulate the
system you are interested in.
Best,
Eduardo
On 11/07/2008, at 21:22, Luis Agapito wrote:
Hello All,
I’m applying electric field (z direction) to a slab (x-y plane).
From the local potential profile, I can see that Siesta (version
2.0.1) applies a fictitious charge dipole layer to generate the field.
In my calculation, Siesta automatically located that charge dipole
layer within the slab. How can I control the position (in the z
axis) of this layer, placing it within the vacuum region?
The reference to the method of implementing the electric field would
be helpful too.
Thanks
Luis
