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Special points for Brillouin-zone integrations
Abstract
A method is given for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector. The integration can be over the entire Brillouin zone or over specified portions thereof. This method also has applications in spectral and density-of-state calculations. The relationships to the Chadi-Cohen and Gilat-Raubenheimer methods are indicated.
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“The reference all-electron results of the equation of states chosen in this work are the ones of the WIEN2k code [24] reported in Ref. [6], with the exception of the rare-earth nitrides for which we use the WIEN2k results reported in Ref. [18].”
From Precision and efficiency in solid-state pseudopotential calculations (2018) · cites this paper as [18]
In the citing paper
“Leveraging the SSSP protocol, we identify two optimal PSP libraries, named SSSP efficiency and SSSP precision (version 1.1), that provide thoroughly tested and precise PSPs for 85 elements of the periodic table, selected from publicly available PSP libraries [16-22], for which the original authors should be acknowledged.”
From Precision and efficiency in solid-state pseudopotential calculations (2018) · cites this paper as [18]
In the citing paper
“Leveraging the SSSP protocol, we identify two optimal PSP libraries, named SSSP efficiency and SSSP precision (version 1.1), that provide thoroughly tested and precise PSPs for 85 elements of the periodic table, selected from publicly available PSP libraries [16-22], for which the original authors should be acknowledged.”
From Precision and efficiency in solid-state pseudopotential calculations (2018) · cites this paper as [18]
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- G. F. Koster, 1957, Solid State Physics
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Metadata
- Authors
- Monkhorst, H. J., & Pack, J. D.
- Affiliations
- University of Utah (US)
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1976-06-15
- Volume
- 13
- Issue
- 12
- Pages
- 5188-5192
- ISSN
- 0556-2805 (ISSN-L)
- OpenAlex
- W2036113194
- Cited by
- 71,721
- References
- 4
- Citations by year
- 2026: 4831 · 2025: 5849 · 2024: 5512 · 2023: 4898 · 2022: 4986 · 2021: 4725 · 2020: 4511 · 2019: 4071 · 2018: 3816 · 2017: 3385 · 2016: 3229 · 2015: 2740 · 2014: 2713 · 2013: 2358 · 2012: 2223
- FWCI
- 6.25
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Physical review. B, Solid state (publishedVersion)
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Physical Sciences › Materials Science › Metals and Alloys › Thermodynamic and Structural Properties of Metals and Alloys
- Physical Sciences › Physics and Astronomy › Condensed Matter Physics › Physics of Superconductivity and Magnetism
- Keywords
- Brillouin zone integration, special points, spectral function, density of states, k-point sampling
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