A parallel implementation: Real space Green's function technique

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Tarih

2007-04

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

Sage Publications

Erişim Hakkı

info:eu-repo/semantics/closedAccess

Araştırma projeleri

Organizasyon Birimleri

Dergi sayısı

Özet

We develop an MPI-based parallel algorithm to implement the real space Green's function technique for calculating the vibrational density of states corresponding to a solid. The Hamiltonian describing the interactions between the atoms within the system is obtained from the embedded atom method. The parallel implementation speeds up calculation by an order of magnitude. The parallel implementation details and results are presented in this paper.

Açıklama

Anahtar Kelimeler

Atom, Embedded, Metals, Method, MPI, Parallel algorithm, Vibrations, Vicinal surfaces, Atoms, Green's function, Hamiltonians, Parallel algorithms, Atom interactions, Vibrational density, Molecular vibrations

Kaynak

International journal of high performance computing applications

WoS Q Değeri

Q2
Q2

Scopus Q Değeri

Q2

Cilt

21

Sayı

1

Künye

Onat, B., Durukanoğlu, S. & Dağ, H. (2007). A parallel implementation: Real space green's function technique. The International Journal of High Performance Computing Applications, 21(1), 66-74. doi:10.1177/1094342006074862