File:Cartoon scf cycle.png: Revision history

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8 December 2020

  • curprev 16:1216:12, 8 December 2020‎ Andrea Ferretti talk contribs‎ 339 bytes +339‎ Cartoon of the logical flow of a self-consistent Kohn-Sham DFT calculation. Figure from M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, ''Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients'', Rev. Mod. Phys. '''64''', 1045 (1992).
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