Result: Electronic structure calculations of solids using the WIEN2k package for material sciences
Title:
Electronic structure calculations of solids using the WIEN2k package for material sciences
Authors:
Source:
Proceedings of the europhysics conference on computational physics (CCP 2001): computational modeling and simulation of complex systems, Aachen, Germany, September 5-8, 2001Computer physics communications. 147(1-2):71-76
Publisher Information:
Amsterdam: Elsevier Science, 2002.
Publication Year:
2002
Physical Description:
print, 25 ref
Original Material:
INIST-CNRS
Subject Terms:
Computer science, Informatique, Theoretical physics, Physique théorique, Sciences exactes et technologie, Exact sciences and technology, Physique, Physics, Generalites, General, Instruments, appareillage, composants et techniques communs à plusieurs branches de la physique et de l'astronomie, Instruments, apparatus, components and techniques common to several branches of physics and astronomy, Informatique en physique expérimentale, Computers in experimental physics, Modélisation et simulation par ordinateur, Computer modeling and simulation, Etat condense: structure electronique, proprietes electriques, magnetiques et optiques, Condensed matter: electronic structure, electrical, magnetic, and optical properties, Etats électroniques, Electron states, Méthodes de calcul de structure électronique, Methods of electronic structure calculations, Plane-wave methods (including augmented plane-wave method), Density functional theory, local density approximation, Calcul APW, APW calculations, Calcul ordinateur, Computer calculations, Code calcul, Computation code, Código computación, Effet relativiste, Relativistic effect, Efecto relativista, Méthode fonctionnelle densité, Density functional method, Structure bande, Band structure, Structure électronique, Electronic structure
Document Type:
Conference
Conference Paper
File Description:
text
Language:
English
Author Affiliations:
Technische Universität Wien, Institut für Materialchemie, Getreidemarkt 9/165, 1060 Vienna, Austria
ISSN:
0010-4655
Rights:
Copyright 2003 INIST-CNRS
CC BY 4.0
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
CC BY 4.0
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Notes:
Metrology
Physics of condensed state: electronic structure, electrical, magnetic and optical properties
Physics of condensed state: electronic structure, electrical, magnetic and optical properties
Accession Number:
edscal.13855012
Database:
PASCAL Archive
Further Information
In studies of the electronic structure of solids, the augmented plane wave (APW) method is the basis for the solution of the Kohn-Sham equations of density functional theory (DFT). The different versions and developing steps are discussed in terms of linearization, full potential, local orbitals, mixed basis sets, relativistic effects and computational aspects, as employed in the WIEN2k code.