The Projector Augmented-wave Method

Details The Projector Augmented-wave Method The Projector Augmented-wave Method

2009-10-10

arxiv.org/abs/0910.1921v2

Physics

Condensed Matter

Materials Science

25 pages, 1 figure

Scientific paper

The purpose of this text is to give a self-contained description of the basic theory of the projector augmented-wave (PAW) method, as well as most of the details required to make the method work in practice. These two topics are covered in the first two sections, while the last is dedicated to examples of how to apply the PAW transformation when extracting non-standard quantities from a density-functional theory (DFT) calculation.

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