[Wien] CXZ and P

[Peter Blaha]

> I am just calculating vicinal surface by wien2k code.

PS: I noticed that this is at best a double layer of Pd.
Do you think this is a relevant model ?
I would expect that you have to add at least one more double layer ?


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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