The transition phase of InN from wurtzite (WZ) structure to rocksalt (RS) structure is investigated via the minimization of the total energy within Local Density Approximation (LDA) based on Density Functional Theory (DFT), the calculated equilibrium volume are in agreement with available experimental value and other calculated data. In the meantime, the thermodynamic properties of different phase under high temperature and high pressure are investigated applying nonempirical Debye model combining with the first principle theory in the quasi‐harmonic approximation. The transition phase from WZ structure to RS structure occurs at the pressure of 10.1 GPa, which agrees well with experimental value. The evaluated equilibrium volume using this model agrees with the value obtained from ab intio and from experiment. The results demonstrate that this method can provide reliable predictions for the temperature and pressure dependence of these quantities such as the equation of state (EOS), the isothermal bulk modulus, the heat capacity, and the thermal expansion in detail. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)