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cond-mat.mtrl-sci2019★ 1 cited
Generalized Regular k-point Grid Generation On The Fly
Wiley S. Morgan, John E. Christensen, Parker K. Hamilton +4
In the DFT community, it is common practice to use regular k-point grids (Monkhorst-Pack, MP) for Brillioun zone integration. Recently Wisesa et. al.\cite{wisesa2016efficient} and…
cond-mat.mtrl-sci2018
Efficiency of Generalized Regular k-point Grids
Wiley S. Morgan, Jeremy J. Jorgensen, Bret C. Hess +1
Most DFT practitioners use regular grids (Monkhorst-Pack, MP) for integrations in the Brillioun zone. Although regular grids are the natural choice and easy to generate, more gener…