A real-space full-potential localized LMTO method for non-collinear magnetism

Authors
Galanakis, I Alouani, M Wills, JM Dreysse, H
Citation
I. Galanakis et al., A real-space full-potential localized LMTO method for non-collinear magnetism, PHIL MAG B, 78(5-6), 1998, pp. 463-467
Citations number
8
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICSELECTRONIC OPTICAL AND MAGNETIC PROPERTIES
ISSN journal
13642812 → ACNP
Volume
78
Issue
5-6
Year of publication
1998
Pages
463 - 467
Database
ISI
SICI code
1364-2812(199811/12)78:5-6<463:ARFLLM>2.0.ZU;2-Z
Abstract
We have implemented the localized full-potential linear muffin-tin orbital (LMTO) method in real-space representation suitable for the study of noncol linear magnetism. In particular, we show (1) how to obtain a full potential localized basis-set, (2) how to construct the Hamiltonian and the overlap matrix elements, (3) the use of the recursion method to obtain the Greens f unction, (4) the calculation of the charge density, and (5) the solution of the Poisson equation to compute the Coulomb potential.