Nanowire Tutorial
Introduction
ATK Nanowire Tutorial
Setup and Calculate the Properties of a Nanowire
Version
12.2.0
Copyright © 2008–2012 QuantumWise A/S
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Table of Contents
Introduction
Setting up the geometry
Nanowire custom builder
Hydrogen passivation of the structure
Relaxing the geometry of the nanowire
Relaxing the nanowire using non-self-consistent tight binding
Executing and analysing the relaxation
Relaxing the nanowire with DFT
Calculating DFT forces
Relaxing the geometry with DFT
Bibliography
