Massively parallel density functional calculations for thousands of atoms: KKRnano
نویسندگان
چکیده
A. Thiess,1,2,* R. Zeller,1 M. Bolten,3 P. H. Dederichs,4 and S. Blügel1,4 1Institute for Advanced Simulation, Forschungszentrum Jülich, D-52425 Jülich, Germany 2German Research School for Simulation Sciences, D-52425 Jülich, Germany 3Department of Mathematics and Science, University of Wuppertal, D-42097 Wuppertal, Germany 4Peter Grünberg Institut, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany (Received 25 January 2012; published 4 June 2012)
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