Wiley S. Morgan

most citedGeneralized Regular k-point Grid Generation On The Fly

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physics.comp-ph2018

A robust algorithm for $k$ -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 $k$ -point grids, ii) reducing the grids to their symmetrically distinct points, and iii) mapping the reduced grid point…

A robust algorithm for k-point grid generation and symmetry reduction

A robust algorithm for $k$ -point grid generation and symmetry reduction