3.
[38] G. Kresse, J. Hafner, Ab initiomolecular dynamics for open-shell transition metals, Phys. Rev. B 48 (1993) 13115–13118.
[39] G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Comput. Mater. Sci. 6 (1996)15–50.
[40] G. Kresse, J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54 (1996) 11169–11186.
4.
[23] G. Kresse, J. Hafner, Phys. Rev. B 47 (1993) R558.
[24] G. Kresse, J. Hafner, Phys. Rev. B 49 (1994) 14251.
[25] G. Kresse, J. Furthmüller, Comput. Mater. Sci. 6 (1996) 15.
5.
[37] G. Kresse, J. Hafner, Phys. Rev. B 47 (1993) 558.
[38] (a) G. Kresse, J. Hafner, Phys. Rev. B 49 (1994) 14251;
(b) G. Kresse, J. Hafner, J. Phys. Condens. Matter 6 (1994) 8245
6.
[20] G. Kresse, J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54 (1996) 11169–11186.