Diagonalization methods in PARSEC | Zendy

Saad Yousef | Zendy; Zhou Yunkai | Zendy; Bekas Constantine | Zendy; Tiago Murilo L. | Zendy; Chelikowsky Jim | Zendy

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Diagonalization methods in PARSEC

Author(s) -

Saad Yousef,

Zhou Yunkai,

Bekas Constantine,

Tiago Murilo L.,

Chelikowsky Jim

Publication year - 2006

Publication title -

physica status solidi (b)

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.51

H-Index - 109

eISSN - 1521-3951

pISSN - 0370-1972

DOI - 10.1002/pssb.200666816

Subject(s) - parsec , pseudopotential , eigenvalues and eigenvectors , series (stratigraphy) , computer science , physics , mathematics , space (punctuation) , statistical physics , algorithm , theoretical physics , astrophysics , quantum mechanics , galaxy , geology , operating system , paleontology

The Pseudopotential Algorithm for Real‐Space Electronic Calculations (PARSEC) is a software package written by a team consisting of materials physicists and computer scientists over approximately one decade. During this period, the algorithms used in PARSEC have undergone a series of improvements. This paper reviews the nature of the eigenvalue problems encountered in solving the Kohn–Sham equations and discusses the evolution of the diagonalization methods used in PARSEC. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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