GPAW Intro
Calculating the properties of a LiAg crystal
GPAW
Tutorial
Version
12.2.0
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Table of Contents
Calculating the properties of a LiAg crystal
Introduction
Prerequisites
Selecting a structure to calculate
Setting up a GPAW calculation with the Script Generator tool
Analysis options and storing the results
Saving the script
Running the calculation
Examining the results – the electron difference density
Adding the electron difference potential
