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
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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
