“…The calculated values of the phase transition pressure (PT in GPa), the % volume collapse at PT ( V(PT)/V(0)), energy of structures at zero pressure with respect to the rock-salt phase ( G in Ry/unit cell/atom) and the equilibrium volume (V0 inÅ 3 puted various combinations of these second-order elastic constants viz., shear and stiffness constant (C S and C L ), isotropic shear (G), Young's (Y) moduli, Kleinman parameter ( ), Poisson's ratio ( ), elastic anisotropy factor (A) and Cauchy's relation at ambient conditions by using the relations and conditions listed elsewhere [8].…”