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Re: Band/FFT parallelization and iprcel


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  • From: marc.torrent@cea.fr
  • To: forum@abinit.org
  • Subject: Re: Band/FFT parallelization and iprcel
  • Date: Fri, 30 Mar 2007 20:05:59 +0200

Dear Guillaume,

i am pretty sure that it is not possible (for the moment) to precondition the
potential (or density) using a computed dielectric matrix. I had a look at
the routines involved in this preconditioning and I didn't see any parallel
statements. Routines like prcref (precondioning), dieltmt (dielectric
matrix) , ... should be modified to be able to handle band-fft
parallelization...

Marc Torrent



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