A parallel implementation: Real space Green's function technique
Yükleniyor...
Dosyalar
Tarih
2007-04
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Sage Publications
Erişim Hakkı
info:eu-repo/semantics/closedAccess
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
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
