Poster (Scientific congresses and symposiums)Comparative study of the properties of BaTiO3 and PbTiO3 using DFT (LDA, GGA), HF and hybrid (B3LYP) functionals
Bilc, Daniel; Hermet, P.; Iniguez, J. et al.
2007 • 13th International Workshop on computational Physics and Materials Science : Total Energy and force Methods