AM05 Atom Library

Image of Quest AM05 Atom

All AM05 pseudopotentials are generated using the Fritz-Haber Institute fhi98PP code:
M. Fuchs and M. Scheffler, Comput. Phys. Commun. 119, 67 (1999)
and either employ the Hamann type of norm-conserving pseudopotential,
D.R. Hamann, Phys. Rev. B 40, 2980 (1989),
or the Troullier/Martins type,
N. Troullier and J.L. Martins, Phys. Rev. B 43, 1993 (1991).

Also, alkali atoms, alkaline earths, and several early transition metals atoms and early main group atoms incorporate the partial core correction:
S.G. Louie, S. Froyen, and M.L. Cohen, Phys. Rev. B 26 1738 (1982).

Please check internal documentation of atom files, and cite the appropriate references in any publications.