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Parallel implementation of gamma-point pseudopotential plane-wave DFT with exact exchange.
Eric J. Bylaska
Kiril Tsemekhman
Scott B. Baden
John H. Weare
Hannes Jónsson
Published in:
J. Comput. Chem. (2011)
Keyphrases
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parallel implementation
parallel computers
frequency domain
parallel computation
parallel implementations
distributed memory
gaussian curvature
three dimensional
single point
discrete fourier transform
grid points
normal vectors
message passing interface