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P. Hohenberg, W. Kohn, Phys. Rev. 136 (1964) B864. W. Kohn, L. Sham, Phys. Rev. 140 (1965) A1133. M. Martin, Electronic Structure: Basic Theory and Practical Methods, Cambridge Press, Cambridge, 2004, and references therein. P. So¨derlind, L. A. M. Wills, Phys. Rev. B 61 (2000) 2579. L. Yang, in: A. ), Industrial Strength Parallel Computing, Morgan Kaufmann, San Francisco, 2000, p. 297. A. Landa, J. Klepeis, P. So¨derlind, I. Naumov, O. Velikokhatnyi, L. Vitos, A. Ruban, J. Phys. Chem. Solids 67 (2006) 2056.

E. Klepeis, P. So¨derlind, A. Landa, Phys. Rev. B 75 (2007) 180101. P. Hohenberg, W. Kohn, Phys. Rev. 136 (1964) B864. W. Kohn, L. Sham, Phys. Rev. 140 (1965) A1133. M. Martin, Electronic Structure: Basic Theory and Practical Methods, Cambridge Press, Cambridge, 2004, and references therein. P. So¨derlind, L. A. M. Wills, Phys. Rev. B 61 (2000) 2579. L. Yang, in: A. ), Industrial Strength Parallel Computing, Morgan Kaufmann, San Francisco, 2000, p. 297. A. Landa, J. Klepeis, P. So¨derlind, I. Naumov, O.

A) Undissociated and (b) dissociated with formation of an intrinsic stacking fault. 54 J. Rabier et al. Ch. 93 other end by a sessile partial dislocation. The motion of this last partial requires a nonconservative atomic rearrangement. This type of rearrangement is called a shuffling and, for that reason, Hirth and Lothe [12] called the set of type I planes the shuffle set and the dislocations lying in these planes shuffle dislocations. The dissociated shuffle dislocation, called ‘‘extended shuffle dislocation’’ by Alexander [1], can be described in two ways: either as a stacking-fault ribbon bounded by two Shockley dislocations of opposite sign associated with a shuffle dislocation, or as a dissociated glide (DG) dislocation that has emitted or absorbed a line of vacancies or interstitials in the core of one of its partials.

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