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juDFT - Home of the DFT codes in Juelich
juDFT: DFT from FZ-Jülich

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Home

About juDFT

Codes

Hands on workshop


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JuDFT

JuDFT contains a collection of codes that have been developed and are maintained by the department Symbol - externer LinkQuantum Theory of Materials of the Peter Grünberg Institut and the Institute of Advanced simulation.

The majority of codes are based on density functional theory.

  • The FLEUR family is based on the Full-potential Linearized Augmented Plane Wave (FLAPW) method, and contains the FLEUR code, an electronic structure code for 1D, 2D and 3D solids, the FLEUR-SPEX code, a GW code with extensions to calculate the T-matrix and Hubbard U in the constrained random phase approximation (cRPA), and GFLEUR, a Green function embedding code to calculate transport properties of junctions.
  • The KKR family contains codes based on the Korringa-Kohn-Rostoker Green function method and
  • juRS a real space projector augmented plane wave method designed for massively parallel supercomputers.

The codes are in part publicly available. One recent aim is to develop or adapt these codes for high-performance computer.

We welcome collaborations.

Forschungszentrum Jülich, D-52425 Jülich Institute for Advanced Simulation
Institute Quantum Theory of Materials Impressum
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Page last modified:
August 11, 2015