Re: CCL:3D complex to complex FFT routine, Car-Parrinelo
Dear All,
> Before I do so, I wonder if somebody has a routine equivalent to SCFT3
> and is willing to make it available through the net.
Anyone looking for a good FFT could do a lot worse than to ftp
"/pub/gpfa.tar.Z" from here "earth.ox.ac.uk". This contains
an in-place, self-sorting complex FFT of radix 2,3,5 with multiple
1-D and 3-D interfaces.
These use the recent algorithms described in
Ref: Clive Temperton, Siam J. Sci. Stat. Comput 13(3), 676-686 (1992)
which represent a considerable advance in speed and workspace requirements.
In every case I have tested, these routines (in FORTRAN) are faster than
computer suppliers' own tuned library FFTs (often in assembler). I have
been using them for car-parrinello type calculations for over a year
now with considerable success.
Keith Refson
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