HAL Id: hal-00787088
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Submitted on 19 Feb 2013
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Extensions of the Siesta DFT Code for Simulation of
Molecules
Olivier Coulaud, Patrice Bordat, Pierre Fayon, Vincent Le Bris, Isabelle
Baraille, Ross Brown
FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data (as well as of even/odd data, i.e. the discrete cosine/sine transforms or DCT/DST). We believe that FFTW, which is free software, should become the FFT library of choice for most applications.
A. Srivastava, P. Tandon, A. Ayala, and S. Jain. VIBRATIONAL SPECTROSCOPY, 56 (1, SI):
82-88(2011)3rd International Conference on Perspectives in Vibrational Spectroscopy
(ICOPVS-2010), Banaras Hindu Univ, Varanasi, INDIA, FEB 21-24, 2010.