Hi Luis,
I think it is the middle point of the vector defined by the electric
field in the %block Efield,
by I'm not sure.
Best,
Eduardo
On 15/07/2008, at 22:47, Luis Agapito wrote:
Thanks Eduardo,
Any idea of the SIESTA criteria for choosing the position of the
discontinuity point of the zigzag profile?
Luis
From: Siesta, Self-Consistent DFT LCAO program, http://www.uam.es/siesta
[mailto:[EMAIL PROTECTED] On Behalf Of Eduardo Anglada
Sent: Tuesday, July 15, 2008 7:35 AM
To: SIESTA-L@listserv.uam.es
Subject: Re: [SIESTA-L] Electric field
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
