Reducing quasi-ergodicity in Monte Carlo simulations of the plastic phase of the cyanoadamantane crystal

Monte Carlo simulations of the plastic phase of cyanoadamantane crystal hav e been analyzed from the point view of a quasi-ergodic behavior. A quantita tive measure of non-ergodicity has been introduced. It has been shown that it is possible to decrease non-ergodicity of simulations using a preferenti al sampling instead of the conventional Metropolis algorithm. (C) 1999 Else vier Science B.V. All rights reserved.