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About User Guide PDF
The document provides a user guide for the wannier90 code, which computes maximally localized Wannier functions (MLWFs) following methods by Marzari, Vanderbilt, Souza, and others. It introduces the key concepts and definitions for representing electronic structure in terms of Bloch states and Wannier functions. The guide describes how wannier90 uses a unitary matrix U(k) to mix Bloch states and optimize the matrix to minimize a "spread functional" and generate maximally localized Wannier functions.
Detailed Information
| Author: | ['Ricardo C'] |
|---|---|
| Publication Year: | 2020 |
| Pages: | 166 |
| Language: | English |
| Format: | |
| Price: | FREE |
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