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

Responder a