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algorithm spring » algorithm showing (Expand Search), algorithm using (Expand Search), algorithms using (Expand Search)
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Landscape17
Published 2025“…Initial pathways between minima were generated through linear interpolation in internal coordinates after endpoint alignment. The NEB algorithm optimizes these interpolations of 20 images with a 50 eV/Å spring constant and convergence criterion of 10<sup>−2</sup> eV/Å for the maximum force component. …”