[Wien] slab made by supercell

[Donghui Guo]

Dear all,

I made a 3 layers slab by supecell to simulate surface. Is it obligatory to replace one atom with impurity/vacancy or introduce distortions? 
Thank you!  

Best regards, 
Yours, 
Donghui Guo
2008-10-17


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Donghui Guo 
Catalysis Research Center (CRC)
Hokkaido University
21-10 Kita, Sapporo 001-0021
Japan
dhguo at cat.hokudai.ac.jp
TEL: +81-11-706 9114 (office)
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