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Au, Ag and Ni

These types specify Sutton-Chen potentials of the appropriate form.[12] Three additional real parameters must be specified using the PARAMS keyword in the odata file, namely Sutton and Chen's 9#9, c and a, in this order. The nearest neighbour distance in the prevailing unit system is 16#16. Hence, using 17#17 corresponds to a unit system where the bulk nearest-neighbour distance is 1. Subroutines used: scdiff.



David Wales
10/20/1999