Zinc oxide semiconductor is a promised material due to its properties between ionic and covalent band. In this work we investigate molecular dynamics and dl_poly_4 software to analyze the band behavior under the effect of pressures and temperatures. Our system composed of 2916 atoms in a simulation box of 9x9x9 dimension. The range of pressure is 0-200GPa and for temperature is 300-3000K, we will study the variation of the distance between ZnO atoms. Our results are in agreement with the available data due to no more information under previous conditions. This result is very important in nanosacle and macroscale especially in industry field and geophysics.
