[Pw_forum] plane averaged local potential

[Eduardo Ariel Menendez Proupin]

Hello,
I need to calculate plane averaged local potentials, and charges, for a
heterostructure. I.e.,
V(z)=1/(Lx*Ly) \int\int V(x,y,z) dx dy

I think I  can do it using PP to get V(x,y,z) in the 3D FFT grid and a write
a program that makes the average. Then I want to obtain the macroscopic
average, as defined in a triestine paper by Baldereschi, Baroni and Resta
PRL 61 ,734 (1988).

Before spending one or two days  writing the program and become sure that is
works fine, I would like to confirm that this is not already implemented in
PP or in other utility of Quantum-ESPRESSO.

Thank you

-- 
Eduardo Menendez
Departamento de Fisica
Facultad de Ciencias
Universidad de Chile
Phone: (56)(2)9787439
URL: http://fisica.ciencias.uchile.cl/~emenendez
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091028/6f36f848/attachment.html>