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Wannier practice (Part 1)

Nicola Marzari

Recorded 31 July 2009 in Lausanne, Vaud, Switzerland

Course: Summer School on Materials Modeling from First Principles: Theory and Practice - UC Santa Barbara, Jul 2009

Abstract

Wannier functions and their relation with chemically intuitive concepts. Formal connection with the modern theory of polarization, and magnetization. Use of Wannier functions as accurate and efficient interpolators. Wannier functions as building blocks of large-scale Hamiltonians, and to construct Green's functions and self-energy in the Landauer formalism.

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