[Pw_forum] average.x and workfunction calculations

[Lorenzo Paulatto]

In data 02 agosto 2009 alle ore 10:31:45, yaldaa kh <yaldachem at gmail.com>  
ha scritto:
> How can I write an input file for average.x code in order to calculation  
> of workfunction?

I recond that average.x is not documented properly, although if you open  
its source file you find this brief explanation:


!-----------------------------------------------------------------------
PROGRAM average
   !-----------------------------------------------------------------------
   !
   !      This program calculates planar and macroscopic averages
   !      of a quantity defined on a 3D-FFT mesh.
   !      The planar average is done on FFT mesh planes.
   !      It reads the quantity to average, or several quantities, from
   !      one or several files and adds them with the given weights.
   !      It computes the planar average of the resulting quantity
   !      averaging on planes defined by the FFT mesh points and by one
   !      direction perpendicular to the planes.
   !      The planar average can be interpolated on a
   !      1D-mesh with an arbitrary number of points.
   !      Finally, it computes the macroscopic average. The size
   !      of the averaging window is given as input.
   !
   !      It receive as input the following variables:
   !
   !      nfile        ! the number of 3D-FFT files
   ! for each file:
   !      filename     ! the name of the 3D-FFT file
   !      weight       ! the weight of the quantity in this file
   !      .
   !      .
   ! end
   !      npt          ! the number of points of the thick mesh
   !      idir         ! 1,2 or 3. It is the fixed index which defines
   !                   ! the planes of the planar average
   !      awin         ! the size of the window for macroscopic averages.

cheers

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Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
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