Computational simulations that are capable of predicting physical properties are becoming increasingly important in the developments of advanced material. We have developed a software package G(P,T) for assessing physical properties of complex materials based on density functional theory. The software package employs Vienna ab initio package (VASP) as its computing engine and exploits parallelism extensive to take advantage of modern massive parallel computers with thousands of processors. G(P,T) is capable of computing electronic structure, optical and dielectric properties, vibrational properties, mechanic and thermodynamic properties of complex materials. We present here our recently developments and its applications to SiO2, Al2O3, and Boron Carbide systems.