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M. C. Payne, X. Weng, B. Hammer, G. Francis, I. Stich, U. Bertram, A. de Vita, J. S. Lin, A. Qteish, and V. Milman, computer code CASTEP, Cavendish Laboratory, University of Cambridge. The code has been significantly modified and optimized by U. V. Waghmare, K. M. Rabe, and N. A. Hill.
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X. Gonze (private communication). Gonze’s group is also using this method to calculate electron localization lengths
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X. Gonze (private communication). Gonze’s group is also using this method to calculate electron localization lengths.
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