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- From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] potential in reciprocal space
- Date: Tue, 20 Nov 2007 08:37:16 +0100
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Hi,
To transform realspace functions to reciprocal space function you can call fourdp:
http://www.abinit.org/package/robodoc_5.4.4/12ffts/fourdp_F90.html#robo342
regards
PMA
On Nov 19, 2007 9:11 PM, <bertazzi@bu.edu> wrote:
Greetings,
I have a question concerning the potential output file.
The prtpot variable prints the total (Kohn-Sham) potential defined on the real FFT grid. I would like to plot the potential in reciprocal space.
How can I Fourier transform the potential?
Is it possible to print the potential directly in G space?
Any suggestion is appreciated!
Francesco Bertazzi
--
Pierre-Matthieu Anglade
- potential in reciprocal space, bertazzi, 11/19/2007
- Re: [abinit-forum] potential in reciprocal space, Anglade Pierre-Matthieu, 11/20/2007
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