[CPMD-list] global optimization by simulated annealing

Chuanyun Xiao chuanyunx at yahoo.com
Wed Oct 9 16:34:20 CEST 2002


Dear all:

        I want to make global optimization of geometries of clusters by dynamical simulated annealing technique, but don't know how to do that. Can anyone tell me the basic steps and send me an example input file for each step? I prefer examples of pure or mixed silicon clusters. 

       Thanks a lot in advance.

       Chuanyun Xiao

       Department of Physics

       Jackson State University

       Jackson, Mississippi 39217

       USA



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