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index ordering in real space wavefunc


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  • From: deyulu@yahoo.com
  • To: forum@abinit.org
  • Subject: index ordering in real space wavefunc
  • Date: Tue, 15 May 2007 02:53:26 +0200

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/

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