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Introduction
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Implementation of a Divide
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Implementation of a Divide
Contents
Introduction
CRYSTAL Materials Modelling Code
Linear Scaling in DFT
Original dCSE Application Milestones
Divide and Conquer Algorithm
Proof of Principle Example
Liquid Neon
Performance Tests
Additional Useful Outcomes from this dCSE Project
Task Level Parallelism
Improved Initial Guess of the Density Matrix
Limitations
Conclusions
Acknowledgements
Bibliography
Daniel R. Jones 2011-12-06
