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Alejandro Varas edited geometry optimization.tex
over 9 years ago
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If not all, most methods to obtain stable structures are based on local minimizers, which are algorithms adapted to identify the first minimum-energy structure starting from an arbitrary point on the coordinates space.
Among the variety of local minimizers available on the literature, the so-called FIRE algorithm, put forward by Bitzek {\it et al.}~\cite{Bitzek2006}, has proven to have a competitive performance compared with
both standard implementations of the conjugate gradient method, and more sophisticated schemes typically used in {\it ab initio} calculations.