[Wien] slabs and cluster
Stefaan.Cottenier at fys.kuleuven.ac.be
Tue Sep 16 12:32:04 CEST 2003
> I want to know if wien2k code can perform calculation on slabs or cluster.
> Another, If I want to calculate surface a crystal or slabs, how should I
Make a case.struct that contains the desired vacuum (in one dimension for a
slab, in 3 dimensions for a cluster). Do it either manually or -- for some
types of lattices -- assisted by the supercell program.
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