%0 Conference Paper
%A Di Napoli, Edoardo
%A Wortmann, Daniel
%A Berljafa, Mario
%T Enabling Large Scale LAPW DFT Calculations by a Scalable Iterative Eigensolver
%M FZJ-2015-02284
%D 2015
%X In LAPW-based methods a sequence of dense generalized eigenvalue problems appears. Traditionally these problems were solved using direct eigensolvers from standard libraries like ScaLAPACK. We developed a subspace iteration method pre-conditioned with Chebyshev polynomials of optimal degree (ChASE). This algorithm is consistently competitive with direct eigensolvers and greatly enhance performance and scalability. ChASE is included in the FLEUR software and improves its scaling behaviour for calculations of large physical systems on modern supercomputers.
%B SIAM Conference on Computational Science & Engineering
%C 14 Mar 2015 - 18 Mar 2015, Salt Lake City (USA)
Y2 14 Mar 2015 - 18 Mar 2015
M2 Salt Lake City, USA
%F PUB:(DE-HGF)6
%9 Conference Presentation
%U https://juser.fz-juelich.de/record/189021