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About Wannier Tutorial
This document provides instructions for a hands-on tutorial on calculating electronic structure and transport properties using Wannier functions. The tutorial contains 5 exercises on calculating the Wannier functions for the valence bands of silicon. Exercise 1 involves performing a ground state calculation, band structure calculation, and Wannier calculation on silicon to obtain the 4 valence band Wannier functions. Key steps include modifying input files for Quantum Espresso and Wannier90, running calculations, and inspecting outputs to understand the electronic structure of silicon and the Wannier functions obtained.
Detailed Information
| Author: | ['Wendel Paz'] |
|---|---|
| Publication Year: | 2014 |
| Pages: | 7 |
| Language: | English |
| Format: | |
| Price: | FREE |
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