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Bennett & Rappe Pseudopotential Library

LDA

GGA

Latest release

Version 4.0 - September 12, 2017

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Scientific References

  1. I. Grinberg, N. J. Ramer, and A. M. Rappe, Phys. Rev. B 62, 2311 (2000) and references therein.
  2. A. M. Rappe, K. M. Rabe, E. Kaxiras, and J. D. Joannopoulos, Phys. Rev. B 41, 1227 (1990).
  3. G. P. Kerker, J. Phys. C: Solid St. Phys. 13, L189 (1980).
  4. S. Louie, S. Froyen, and M. Cohen, Phys. Rev. B 26, 1738 (1982).
  5. X. Gonze, R. Stumpf, and M. Scheffler, Phys. Rev. B 44, 8503 (1991).
  6. N. J. Ramer and A. M. Rappe, Phys. Rev. B 59, 12471 (1999).
  7. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
  8. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
  9. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
  10. D. R. Hamann, Phys. Rev. B 40, 2980 (1989).
  11. M. Fuchs and M. Scheffler, Comput. Phys. Commum. 119, 67 (1999).
  12. W. A. Al-Saidi, E. J. Walter and A. M. Rappe Phys. Rev. B 77, 075112 (2008).
  13. C. Adamo and V. Barone J. Chem. Phys. 110, 6158 (1999).
  14. J. R. Trail and R. J. Needs J. Chem. Phys. 122, 014112 (2005).
Last updated: Sep 12, 2017