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
