Electronic structure calculations of ilmenite and pseudo-brookite phases have been performed using the very efficient localized-orbital basis set DFT code Fireball. In this method, the self-consistency is achieved over the occupation numbers through the Harris functional and LDA exchange-correlation energy is calculated using the efficient multi-center weighted exchange correlation density approximation (McWEDA). This method has already been used for the study of molecular adsorption on Fe 3 O 4 surfaces in good agreement with experimental determination.