Some Notes on a Modified OPW Method

  • D. M. Gray
  • R. J. Karpien
Part of the The IBM Research Symposia Series book series (IRSS)


A brief description of a modification of the standard OPW method is given. This modification was used by Gray and Brown for Cu3Au and is essentially the same as that of Deegan and Twose. A comparison of standard OPW and the modified version as applied to three selected irreducible representations of Cu is discussed in detail. Results of a similar comparison for LaSn3 are discussed briefly. For the two crystals chosen, standard OPW was found to be reasonably good for LaSn3 but inadequate for Cu whereas MOPW was quite adequate for both.


Plane Wave Irreducible Representation Atomic Function Atomic Potential Valence Function 
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Copyright information

© Plenum Press, New York 1971

Authors and Affiliations

  • D. M. Gray
    • 1
  • R. J. Karpien
    • 1
  1. 1.Watervliet ArsenalWatervlietUSA

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