Simulation and experimental study results are reported to solve align/overlay problem in dark hard mask process in lithography. For simulation part, an in-house simulator, which is based on rigorous coupled wave analysis and Fourier optics method of high NA imaging, is used. According to the simulation and experiment study, image quality of alignment and overlay marks can be optimized by choosing hard mask and sub-film thickness carefully for a given process condition. In addition, it is important to keep the specification of film thickness uniformity within a certain limit. Simulation results are confirmed by experiment using the state of art memory process in Samsung semiconductor R&D facility.