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Xavier Andrade edited Photoemission.tex
over 9 years ago
Commit id: 9ad4dfc76cc48b35c0903612a2a67d235f3e06b8
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This cost can be greatly reduced using a special grid with only two additional points placed at $\pm \alpha L$
as shown in Fig.~\ref{fig:pes_nfft}~(c).
Since the new grid has non uniform spacing a non-equispaced FFT (NFFT)
must be
employed~\cite{Kunis:2006wg,Potts:2009kn}. is used~\cite{Kunis:2006wg,Potts:2009kn}.
With this strategy a price is paid in momentum space where the maximum momentum $k_{\rm max}$ is reduced
by a factor $\alpha$ compared to ordinary FFT.
In Octopus we implemented all the three strategies: bare FFT, zero padding with FFT and zero padding with NFFT.