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A parallel implementation: Real space Green's function technique

delete2007-02-01
delete0
PRE
AI
B
Berk Onat *
S
Sondan Durukanoğlu
H
Hasan Dağ
DOI：10.1177/1094342006074862delete
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Abstract

Abstract

En 中文
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.
Keywords:
vibrations
metals
vicinal surfaces
parallel algorithm
MPI
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Journal

International Journal of High Performance Computing Applications cover
International Journal of High Performance Computing Applications
IF:
2.5
Papers:
1.1K
Citations:
1.3K

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No organization information available