Calculation of Lattice Defect Saddle-Poi
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E. J. Savino; A. M. Monti
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Article
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1984
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John Wiley and Sons
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English
β 680 KB
## Abstract A numerical method for calculating lattice defect atomic configurations corresponding to energy local extrema is presented. It is designed for locating and calculating the defect saddleβpoint configuration. The method is used for obtaining the vacancy and divacancy migration energy in a