[Pw_forum] INPUT file for average.x

[lan haiping]

Thank you, Giovanni.

I would like to ask another naive question.
what is the 3-D FFT file? is it saved in tmp  directory ,or else ?

Does the setting of npt have relation to  the thickness of slab?

 Regards,

Hai-Ping

On 5/22/06, Giovanni Cantele <Giovanni.Cantele at na.infn.it> wrote:
>
> 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
>
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