A crucial test of the cellular method
- 1 December 1968
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 1 (6) , 1633-1636
- https://doi.org/10.1088/0022-3719/1/6/320
Abstract
Cellular eigenvalues have been computed for copper metal on using exactly the same potential as Burdick and they agree with the augmented plane wave method results within 0002 ryd. Empty-lattice eigenvalues for all irreducible representations of all points of symmetry are correct (with one exception) to 0000 02 ryd, the exceptional error being 00001 ryd. For general k values most errors are below 0005 ryd. These results have been obtained both for face-centred and body-centred cubic lattices.Keywords
This publication has 7 references indexed in Scilit:
- Study of potentials suitable for band structure calculations of the noble metals: I. CopperProceedings of the Physical Society, 1967
- The band structure of hexagonal close-packed metals: I. The cellular methodProceedings of the Physical Society, 1965
- Band Structure of Metallic Copper and Nickel by a Self-Consistent ProcedureJournal of the Physics Society Japan, 1965
- Electronic Structure of Ordered Beta BrassPhysical Review B, 1965
- Energy Band Structure of CopperPhysical Review B, 1963
- The cellular method for a close-packed hexagonal lattice II. The computations: a program for a digital computer and an application to zirconium metalProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1958
- The cellular method for a close-packed hexagonal lattice I. TheoryProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1958