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Car-Parinello-like calculations have been used to compute the relaxation of the Al(331) surface, with results that are in remarkable agreement with the low-energy electron-diffraction analysis of Adams and So?renson. Rapid screening of the steps on Al(331) is illustrated by comparing its charge density and relaxations to those of Al(110) and Al(111).
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Nelson et al. (1992) studied this question.
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