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Contents
Tutorial for the
Projector Augmented Wave
Method
Version 2.0
Wun C. Chiou, Jr, University of California - Los Angeles
(March 30, 2000)
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Contents
About the tutorial
Setup Your Environment
Make the Input Files
Control File
Structure File
Run a Basic Calculation
First Attempt
Ironing out some Errors
Monitor the Output
Try Again
Optimize the Geometry
First Attempt
Getting Closer
Visualize the Structure
Analyze the Output
Density of States
Wavefunction
Find a Transition State
About this document ...
Wun Chiou
2000-03-30