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#### Welcome to the documenation of the Jülich KKR codes
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Our Jülich KKR package allows to perform all electron density functional theory calculations to analyze
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* bulk, film and semi infinite systems
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* concentrated disordered and dilute alloys (in the virtual crystal approximation or the coherent potential approximation)
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* single atoms and finite-sized clusters in a host-system
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* extremely large unit cells with >100k atoms
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employing
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* non-relativistic, scalar relativistic or relativistic calculations including spin-orbit coupling effects
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* embedding-technique in real space (e.g. for single impurities without the need for supercells) with the `KKRimp code`
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* linear scaling for extremely large unit cells (using the `KKRnano` code)
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* treatment of the full potential (using the `Voronoi code`) as well as using the atomic sphere approximation (ASA)
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* Boltzmann and Landauer-Büttiker transport formalisms (using the `Pkkprime` code)
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* time-dependent density functional theory (using the `KKRsusc` extension)
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to predict
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* scattering effects (with the `Pkkprime code`)
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* electronic transport properties (e.g. conductivities, spin relaxation, family of Hall and Nernst effects with the `Pkkprime code`)
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* magnetic response functions (with the `KKRsusc code`)
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* magnetic (exchange) parameters for micromagnetic and atomistic spin models (with the `KKRhost`, `KKRimp` and `KKRnano` codes)
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* quasiparticle interference (QPI) spectra
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#### Code characteristics:
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* linear scaling for layered systems
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* highly parallelized, hybrid parallelization using 2-levels of MPI and an OpenMP level
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* the KKR package is part of the [JuDFT code family](http://www.judft.de/pm/index.php)
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* our KKR code is interfaced with the [AiiDA framework](http://www.aiida.net) |
