62 citations · 76 across the 4 of their papers we have counts for
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physics.comp-ph2018★ 13 cited
A robust algorithm for -point grid generation and symmetry reduction
Gus L. W. Hart, Jeremy J. Jorgensen, Wiley S. Morgan +1
We develop an algorithm for i) computing generalized regular -point grids, ii) reducing the grids to their symmetrically distinct points, and iii) mapping the reduced grid point…
cond-mat.mtrl-sci2018★ 62 cited
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…