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Category EWALD (optional)

Holds information controlling the Madelung sums. The defaults are almost always adequate; for a detailed description the reader is referred to the documentation on the Madelung sums in the program in the subdirectory MAD. For `strange' structures one should check the convergence by decreasing the token TOL= (see below).





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