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DZ

Dzugutov potential:[33,34]
$\displaystyle V(r)$ $\textstyle =$ $\displaystyle A(r^{-m}-B) \exp\left( {c\over r-a}\right) \Theta(a-r) +
B \exp\left({d\over r-b}\right) \Theta(b-r).$  

Seven parameters must by specified by a PARAMS line in the odata file, i.e. $m$, $A$, $c$, $a$, $B$, $d$, and $b$.



David Wales 2007-06-07