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CPMD Version 3.1

Only minor updates were made for this version. However, it served as a starting point for two major new developments. The free energy functional code with k points was developed by A .Alavi and Th. Deutsch in Belfast. An efficient path integral version using two level parallelism was put together by D. Marx, M. Tuckerman and J. Hutter.



Costas Bekas 2008-09-04