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["lan haiping" <lanhaiping@gmail.com>]

Dear Oscar M. Ramirez
  i think the program  macroave  can help you achieve your goal.
you can find the manual and notes at $abinit/doc/macroave.
 good luck

bests,
hai-ping

On 11/1/07, ramirez_o273@utpb.edu <ramirez_o273@utpb.edu> wrote:

Dear Abinitioners,
      Is there any way to obtain a closed form _expression_ for the density or potential instead of just receiving the output files (DEN, POT, etc.)? The reason for wanting closed form expressions for these properties is to be able to perform integrations on them. For instance, if given the electrostatic potential, how could we obtain the plane averaged potential without having an expresion to integrate? Are there any utilities that do this automatically? Please, any help in either obtaining an _expression_ for the density/potential or obtaining a plane-averaged potential would be greatly appreciated. What I'm trying to do is to calculate a work function by using a method described in Fall, C. J.; Binggeli, N.; Baldereschi, A. "Deriving accurate work functions from thin slab calculations" J. Phys.:Condens. Matter 11 (1999) 2689-2696. I'm currently blocked by not being able to perform an integration on the plane averaged electrostatic potential to obtained its so-called macroscop!
ic average.

Thanks in advance for any guidance and best regards,
Oscar M. Ramirez

-- 
Hai-Ping Lan 
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping@gmail.com, hplan@pku.edu.cn