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Alejandro Varas edited geometry optimization.tex
over 9 years ago
Commit id: 66fd965152ec930c3cf316015427433f9471a48f
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When performing geometry optimization on real-space grids, the spacing should be one of the most important aspects to consider in order to get accurate results.
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.