Subject: Re: CCL:3D complex to complex FFT routine, Car-Parrinelo

From: Keith Refson <[email-masked]>
Date: Wed, 15 Mar 95 10:10:50 GMT

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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