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Maximally Localized Wannier Functions Method by Orlando Solis Mariaca is a document available to read on EtoBox.
This paper presents a general method for constructing maximally localized Wannier functions (MLWFs) without numerical minimization. The method consists of three steps: (1) choosing a set of localized trial wave functions, (2) performing a full band projection, and (3) orthonormalizing the projected functions using the Löwdin method. The full band projection ensures the projected functions are localized at lattice sites. Orthonormalizing with Löwdin minimizes the distance between the projected and orthonorma
- Author
- Orlando Solis Mariaca
- Language
- EN