next up previous
Next: Free energy plane-wave pseudopotential Up: No Title Previous: Results

Bibliography

1
S. Geller, Z. Kristallogr. 125 (1967) 1

2
P. D' Arco, F. F. Fava, R. Dovesi, V. R. Saunders, J. Phys. 8 (1996) 8815

3
B. Winkler, M. T. Dove, M. Leslie, Amer. Mineralogist 76 (1991) 313

4
The CASTEP program is developed and distributed by Molecular Simulations Inc

5
M. C. Payne, M. P. Teter, D.C. Allan, T.A. Arias, J. D. Joannopoulos, Rev. Mod. Phys. 64

6
S. Poykko, M.J. Puska, R. M. Nieminen, Phys. Rev.B57 (1998) 12174-12180

7
L. Zhang, H. Ahsbahs, A. Kutoglu, Phys. Chem. Minerals25 (1998), 301-307



Karsten Knorr
1998-09-22