Modification of the Orthogonalized-Plane-Wave Method Applied to Copper
- 15 April 1969
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 180 (3), 744-746
- https://doi.org/10.1103/physrev.180.744
Abstract
The band structure of copper has been calculated using a modified plane-wave method. Use is made of the explicit inclusion of a orbital in the set of base states. Results along the [001], [110], and [111] directions are reported. These results are in good agreement with other calculations. An extension of the pseudopotential method, based on the success of the calculation, is suggested.
Keywords
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