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@INBOOK{Bornemann:867863,
      author       = {Bornemann, Marcel and Baumeister, Paul F. and Zeller,
                      Rudolf and Blügel, Stefan},
      title        = {{KKR}nano: {Q}uantum {D}escription of {S}kyrmions in
                      {C}hiral {B}20 {M}agnets},
      address      = {Cham},
      publisher    = {Springer International Publishing},
      reportid     = {FZJ-2019-06465},
      pages        = {489-503},
      year         = {2019},
      comment      = {High Performance Computing in Science and Engineering ' 18
                      / Nagel, Wolfgang E. (Editor) ; Cham : Springer
                      International Publishing, 2019, Chapter 31 ; ISBN:
                      978-3-030-13324-5 ; doi:10.1007/978-3-030-13325-2},
      booktitle     = {High Performance Computing in Science
                       and Engineering ' 18 / Nagel, Wolfgang
                       E. (Editor) ; Cham : Springer
                       International Publishing, 2019, Chapter
                       31 ; ISBN: 978-3-030-13324-5 ;
                       doi:10.1007/978-3-030-13325-2},
      abstract     = {We present the latest version of the linear-scaling
                      electronic structure code KKRnano, in which an enhanced
                      Korringa-Kohn-Rostoker (KKR) scheme is utilized to perform
                      Density Functional Theory (DFT) calculations. The code
                      allows us to treat system sizes of up to several thousands
                      of atoms per unit cell and to simulate a non-collinear
                      alignment of atomic spins. This capability is used to
                      investigate nanometer-sized magnetic textures in the
                      germanide B20-MnGe, a material that is potentially going to
                      play an important role in future spintronic devices. A
                      performance analysis of KKRnano on Hazel Hen emphasizes the
                      good scaling behaviour with increasing system size and
                      demonstrates the extensive integration of highly optimized
                      libraries.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC / JSC},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$ /
                      I:(DE-Juel1)JSC-20090406},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143) / 511 -
                      Computational Science and Mathematical Methods (POF3-511)},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143 /
                      G:(DE-HGF)POF3-511},
      typ          = {PUB:(DE-HGF)7},
      doi          = {10.1007/978-3-030-13325-2_31},
      url          = {https://juser.fz-juelich.de/record/867863},
}