ON THE EFFICIENCY OF DIFFERENT SCHEMES FOR THE EVALUATION OF THE DENSITY-OF-STATES AND RELATED PROPERTIES IN SOLIDS

It is shown that similar to the tetrahedron method the method original ly proposed by Gilat and Raubenheimer can be used for all kinds of Bra vais lattices to evaluate the density of states and related properties . For a great variety of such properties analytical expressions well s uited for numerical computations are given. Based on explicit calculat ions in the case of Cu it is shown that the improved Gilat-Raubenheime r method needs by a factor of 2 less CPU time than the tetrahedron met hod in order to obtain the density of states functions with the same a ccuracy.