Abstract
We show that the widely used tetrahedron scheme for integrating functions over the Brillouin zone misweights the contributions from the $\stackrel{\ensuremath{\rightarrow}}{\mathrm{k}}$ points at which the function has actually been evaluated. A simple example demonstrates that this misweighting can cause unacceptably large errors. A slight refinement of the scheme is shown to restore the correct weighting.
Keywords
TetrahedronBrillouin zoneWeightingScheme (mathematics)Simple (philosophy)Function (biology)PhysicsComputer scienceAlgorithmTheoretical physicsQuantum mechanicsMathematicsMathematical analysisGeometry
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Publication Info
- Year
- 1983
- Type
- article
- Volume
- 28
- Issue
- 2
- Pages
- 1139-1141
- Citations
- 29
- Access
- Closed
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Cite This
Leonard Kleinman
(1983).
Error in the tetrahedron integration scheme.
Physical review. B, Condensed matter
, 28
(2)
, 1139-1141.
https://doi.org/10.1103/physrevb.28.1139
Identifiers
- DOI
- 10.1103/physrevb.28.1139