Dear Javier, Thanks for the reply. I actually printed out this paper already, and I don't have a chance to read through it. It is a good long paper! Anyway, I will read it at some point. For me to start with, can you answer my second question please: is it possible to smooth out the potential in water? Many thanks.
Regards, Jun On Mon, Nov 23, 2009 at 8:23 AM, Javier Junquera <[email protected]>wrote: > > Dear Jun: > > Take a glance to the following paper: > > "Nanoscale smoothing and the analysis of interfacial charge and dipolar > densities" > Journal of Physics: Condensed Matter 19, 213203 (2007) > > Hope this helps, > > Javier > > > Dear all, >> >> I am trying to get macroscopic potential averages of some interfaces using >> macroave. I noticed that the outcome (.MAV files) changes if setting >> different lengths for filter functions. Is there a general rule to select >> the optimal lengths? >> It seems that macroave works for ordered lattices of solids. Is it also >> possible to smooth out the potential in disordered systems, e.g. solid/water >> interfaces. >> Many thanks in advance. >> >> Best wishes, >> Jun >> > > > -- > ------------------------------------------------------------------------- > Javier Junquera > > Ciencias de la Tierra y Fisica de la Materia Condensada (CITIMAC) > Avenida de Los Castros s/n > Facultad de Ciencias > Universidad de Cantabria > E-39005 Santander, Cantabria > Spain > > web-page: http://personales.unican.es/junqueraj > e-mail: [email protected] > Tel: (+34) 942 20 15 16 > Fax: (+34) 942 20 14 02 > > >
