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2D-Slabs

For slab calculation set the parameter INTERFACE=.true. and give the lattice. Usually the material is embedded in vacuum, i.e. empty spheres with nuclear charge zero. Since the repulsive potential lattice extends outside the given slab, information about this should be also given in the input. This should be done the same as in the decimation method. Look at the examples in the end of the manual.



Nikos Papanikolaou 2002-11-08