SYMMETRIZED PLANE-WAVES .1. SYMMORPHIC SPACE-GROUPS

Authors
DIRL R PAYER K DAVIES BL
Citation
R. Dirl et al., SYMMETRIZED PLANE-WAVES .1. SYMMORPHIC SPACE-GROUPS, Computer physics communications, 98(1-2), 1996, pp. 52-72
Citations number
26
Categorie Soggetti
Mathematical Method, Physical Science","Physycs, Mathematical","Computer Science Interdisciplinary Applications
Journal title
Computer physics communications → ACNP
ISSN journal
00104655
Volume
98
Issue
1-2
Year of publication
1996
Pages
52 - 72
Database
ISI
SICI code
0010-4655(1996)98:1-2<52:SP.SS>2.0.ZU;2-1
Abstract
A procedure for systematically constructing symmetrized plane waves fo r arbitrary symmorphic space groups is given which can also be used to symmetrize arbitrary Bloch-functions. To simplify the technical part, a software package has been developed to compute those specific trans formation matrices that are necessary for either determining symmetriz ed plane waves or symmetrized Bloch-functions.