Book Details

Planewaves, Pseudopotentials, and the LAPW Method

Publication year: 2006

ISBN: 978-0-387-29684-5

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Planewaves, Pseudopotentials, and the LAPW Method, 2nd Edition, provides a comprehensive description of the LAPW (Linearized Augmented Plane Wave) method and its relationships with other first principles approaches for materials. The book is essential reading for practitioners of the method and for developers of electronic structure methods.This book is an updated and revised version of the previous volume. New material has been added on topics including the APW+LO method, LDA+U method, non-collinear magnetism and spin-orbit treatments.


Subject: Chemistry and Materials Science, condensed matter, magnetism, materials, metal, simulation