Advertisement

Details of the Full-Potential ASW Methods

  • Volker Eyert
Part of the Lecture Notes in Physics book series (LNP, volume 849)

Abstract

This chapter summarizes calculational schemes needed mainly by the plane-wave based full-potential ASW method. However, it also covers the detailed calculation of bulk moduli.

References

  1. 1.
    F. Birch, Phys. Rev. 47, 809 (1947) ADSCrossRefGoogle Scholar
  2. 2.
    K.J. Duff, Int. J. Quant. Chem. 5, 111 (1971) CrossRefGoogle Scholar
  3. 3.
    V. Eyert, J. Comput. Phys. 124, 271 (1996) MathSciNetADSzbMATHCrossRefGoogle Scholar
  4. 4.
    V. Eyert, K.-H. Höck, Phys. Rev. B 57, 12727 (1998) ADSCrossRefGoogle Scholar
  5. 5.
    O. Jepsen, O.K. Andersen, Z. Phys. B 97, 35 (1995) ADSCrossRefGoogle Scholar
  6. 6.
    D.A. Langs, J. Appl. Cryst. 29, 481 (1996) CrossRefGoogle Scholar
  7. 7.
    P.O. Löwdin, Adv. Phys. 5, 1 (1956) ADSCrossRefGoogle Scholar
  8. 8.
    L.F. Mattheiss, Phys. Rev. A 133, 1399 (1964) ADSGoogle Scholar
  9. 9.
    F.D. Murnaghan, Am. J. Math. 49, 235 (1937) MathSciNetCrossRefGoogle Scholar
  10. 10.
    F.D. Murnaghan, Proc. Nat. Acad. Sci. 30, 244 (1944) MathSciNetADSzbMATHCrossRefGoogle Scholar
  11. 11.
    W.H. Press, B.P. Flannery, S.A. Teukolsky, W.T. Vetterling, Numerical Recipes—The Art of Scientific Computing (Cambridge University Press, Cambridge, 1989) Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2012

Authors and Affiliations

  • Volker Eyert
    • 1
  1. 1.Materials Design SARLMontrougeFrance

Personalised recommendations