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Brillouin-zone integration by Fourier quadrature: Special points for superlattice and supercell calculations
Abstract
A simple extension of the Monkhorst-Pack Fourier-quadrature (or special-points) method for Brillouin-zone integration makes it possible to determine equivalent (identical by symmetry) points for two different unit cells simply by identifying lattice points common to both cells. This is useful for superlattice or supercell geometries in order to minimize systematic errors.
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Citations
Cites
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
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Metadata
- Authors
- Froyen, S.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1989-02-15
- Volume
- 39
- Issue
- 5
- Pages
- 3168-3172
- ISSN
- 0163-1829 (ISSN-L)
- OpenAlex
- W2044595711
- Cited by
- 516
- References
- 1
- FWCI
- 7.74
- Type
- journal article
- Language
- en
- Open access
- closed
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- Froyen, S. (1989). Brillouin-zone integration by Fourier quadrature: Special points for superlattice and supercell calculations. Physical Review B. https://doi.org/10.1103/physrevb.39.3168
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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