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Hands-on workshop on electronic structure calculations with the FLEUR code

February 7th - 11th 2011
Forschungszentrum Jülich, Germany


The objective of this tutorial is to educate the users in the use of the FLEUR code and to demonstrate its power and limitations through both tutoring by the developers of the code and providing the basic theoretical concepts. The detailed content can be seen from the plan of the lectures. The activities will be aimed at graduate students and researchers from academia and industry.


The FLEUR code is a well-developed program package for calculating ground-state as well as excited-state properties of solid that is based on the full-potential linearized augmented planewave (FLAPW) method. The strength of the FLEUR code lies in applications to bulk, semi-infinite, two- and one-dimensional solids, solids with complex non-collinear magnetism and the treatment of spin-dependent transport properties. In recent years it has been developed to make contact to electronically complex materials. The use of hybrid functionals and OEP have been implemented. Wannier functions can be constructed to make contact to realistic model Hamiltonians. Excitations can be treated on the basis of the GW approximation and ladder diagrams are included to compute the spin-wave excitations.


 fleur-ws2011.pdf (PDF, 2 MB) (pdf.file)


For further information please contact: fleur-ws2011@fz-juelich.de

  • Prof. Dr. Kirill Belashchenko
    University of Nebraska-Lincoln
    NE, USA
  • Dr. Gustav Bihlmayer
    Forschungszentrum Jülich, IFF- I
    D-52425 Jülich, Germany
  • Prof. Dr. Stefan Blügel
    Forschungszentrum Jülich, IFF- I
    D-52425 Jülich, Germany
  • Dr. Daniel Wortmann
    Forschungszentrum Jülich, IFF- I
    D-52425 Jülich, Germany