[Pw_forum] INPUT file for average.x

[Giovanni Cantele]

lan haiping wrote:

> Dear developers,
>  
>         someone else mentioned  that macroscopic average technique has 
> been realized in average.x.
> I  tried to read  the code average.f90 , but i still donot  know the 
> INPUT file's format. Would you please explain more about the input 
> variables ? thank you!
>  
>       Regards,
>  
>        Hai-Ping

A typical input should look like this:

1
filename
1.0
3000
3
2.59

The explanation is in the header of the file PP/average.f90:

  !      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.
  !

With the example above you'll get a 3-column output file for the 
quantity to average
V(u):
- column 1: coordinate u, defined over a mesh of npt=3000 points along 
the direction
idir=3
- column 2: averaged quantity V
- column 3: macroscopically averaged quantity V', over a windows with size
awin=2.50 au

If you want to average a weighted sum of different quantities V1,...,VN
defined over the same FFT mesh, just set nfile to N and specify N file names
with the relative weight.

Regards,
Giovanni

-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. G
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: Giovanni.Cantele at na.infn.it
Web: http://people.na.infn.it/~cantele