Calculations of phonon frequencies and dielectric constants of alkali hydrides via the density functional method

A convenient method for calculating phonon frequencies at q=0 and macroscopic dielectric constants in cubic insulators is developed in the framework of the density functional method: it is applicable to the case of both local and non-local pseudopotentials. The equilibrium unit-cell volume, bulk modulus, equation of state, optical vibration frequencies and static dielectric constants are calculated for LiH and NaH.