Czochralski crystal growth (CZ) is one of the most important single crystal growth techniques. A numerical study on LiCaAlF 6 (LiCAF) crystal in CZ is conducted, and three criteria, which concern with growth rate, interface shape and the instability of convection, for estimating an optimal crystal rotation are adopted. Based on a simplified CZ model with Marangoni convection included, the effect of the variable experimental parameters, such as crystal size and melt height etc., on the optimal crystal rotation is investigated by means of the finite volume method.