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 ************************************************ 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) ******************************************************
