The ABINIT Users Mailing List ( CLOSED )

[Deyu Lu <deyulu@yahoo.com>]

Thank you, Riad. It helps.

Deyu

--- Riad Shaltaf <shaltaf@pcpm.ucl.ac.be> wrote:

> Dear Lu,
> 
> did you check the documentation in section 6.5 of
> the Abinis help file,
> if not it might help you
> 
>
http://www.abinit.org/Infos_v5.3/users/abinis_help.html
> 
> best regards
> 
> Riad
> 
> 
> 
> 
> On Tue, 2007-05-15 at 02:53 +0200, deyulu@yahoo.com
> wrote:
> > Dear abinit users:
> >      I want to visualize the dielectric
> eigen-modes (ppmodel=3) in real space. The   G space
> to real space FFT can be achieved by using
> fftwfn.F90, similarly as in routines screening.F90
> and sigma.F90. In order to view it in xcrysden, I
> need to know the index ordering. Assume a FFT grid
> nz, ny, nx, my feeling is that the data are order
> according to the same format as the xsf format
> (fourdp.F90), i.e.:
> >   write(*,*)
> >   $  (((value(ix,iy,iz),ix=1,nx),iy=1,ny),iz=1,nz)
> > 
> >      Could someone confirm it?
> > 
> >      Thanks
> >      Deyu
> > 
> >
>
***************************************************************************
> > Deyu Lu (Ph.D)
> > 
> > 190 Chemistry Building
> > University of California, Davis 
> > One Shields Avenue
> > Davis, CA 95616
> > Office phone: (530) 754-9663
> > Group Webpage: http://angstrom.ucdavis.edu/
> > 
> >
>
***************************************************************************
> > 
> -- 
> Dr. Riad Shaltaf                  
> UCL/SE/FSA/MAPR/PCPM
> Tel: +32 (0)10 47 28 50            Bâtiment
> Boltzmann, a+1
> Fax: +32 (0)10 47 34 52            1 place Croix du
> Sud
> Mel: shaltaf@pcpm.ucl.ac.be        1348
> Louvain-la-Neuve (Belgique)
> 
> 



       
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