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Atomic programs

ATOM: Produces potential parameters (pp) and other atomic information from the moments. Non-relativistic calculations may be performed by setting REL=F in category OPTIONS. One can choose between the von Barth-Hedin or the Cheperly-Alder local density exchange correlation potential. The Langreth-Mehl-Hu and Perdew-Wang gradient corretions are also implemented.

O. Jepsen
Thu Oct 12 14:48:45 MESZ 2000