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cond-mat.mtrl-sci2024★ 1 cited
High-order and adaptive optical conductivity calculations using Wannier interpolation
Lorenzo Van Muñoz, Jason Kaye, Alex Barnett +1
We present an automatic, high-order accurate, and adaptive Brillouin zone integration algorithm for the calculation of the optical conductivity with a non-zero but small broadening…
cond-mat.mtrl-sci2023★ 27 cited
The Wannier Function Software Ecosystem for Materials Simulations
Antimo Marrazzo, Sophie Beck, Elena R. Margine +7
Over the last two decades, following the early developments on maximally localized Wannier functions, an ecosystem of electronic-structure simulation techniques and software packag…