This paper tried to use LCD Master from SHINTECH to calculate the optical properties and molecular motion of LCD in different boundary condition. Many topics were studied such as (1) The change of tilt angle (θ) and twist angle (φ),(2) The change of energy and Helmholtz energy of the LC molecule in different applied electric field,(3) The optical bounce of TN type LC molecule,(4) The bi-stable mode and the viewing angle dependence of backlight wavelength and cell gap in STN LC display,(5) The transmittance dependence of LC displays at different angles between LC molecular’s rubbing direction and polarization axis direction of polarizer. In additional, we can use simulation result to improve the angle dependence of TN displays.