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Overview
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Learn to implement Wannier function calculations through hands-on practice in this comprehensive tutorial led by Nicola Marzari. Master the fundamental techniques for constructing maximally localized Wannier functions from Bloch states, exploring their mathematical foundations and practical applications in electronic structure calculations. Discover how to set up Wannier90 calculations, understand the localization procedure, and interpret the resulting Wannier functions for materials analysis. Gain practical experience with input file preparation, parameter optimization, and visualization of Wannier orbitals while working through real-world examples that demonstrate the power of Wannier functions in condensed matter physics and materials science research.
Syllabus
Nicola Marzari — Wannier practice Pt 1
Taught by
Materials Cloud