Electronic polarization in the ultrasoft pseudopotential formalism
Materials Science
2007-05-23 v1
Abstract
An expression is given for the electronic polarization of an insulating crystal within the ultrasoft pseudopotential scheme. The pseudopotential charge-augmentation terms modify the usual Berry-phase expression, and also give rise to a second term that takes the form of a conventional expectation value.
Keywords
Cite
@article{arxiv.cond-mat/9801177,
title = {Electronic polarization in the ultrasoft pseudopotential formalism},
author = {David Vanderbilt and R. D. King-Smith},
journal= {arXiv preprint arXiv:cond-mat/9801177},
year = {2007}
}
Comments
6 pages. Uses REVTEX macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#dv_uspol