Abstract
The Shankland-Koelling-Wood Fourier interpolation scheme is altered by a more physical choice of roughness function. Examples are presented demonstrating the improvement in the resulting band-structure plots; a more critical application is to the computation of the transport properties of crystalline solids which require second derivatives of the electronic energy bands.
- Received 22 February 1988
DOI:https://doi.org/10.1103/PhysRevB.38.2721
©1988 American Physical Society
