Dear Chol-Jun Yu, the method is explained in detail in:
A.A. Stekolnikov, J. Furthmueller, and F. Bechstedt, Phys. Rev. B 65, 115318 (2002). Try to read this first. Kind regards Ruslan 2008/11/17 Chol-Jun Yu <[EMAIL PROTECTED]> > Dear all, > > could anyone teach me how to calculate the surface energy of Si, or Ge > surface, of which one side is passivated by hydrogen? As you know, in this > case, we have two surfaces, Si surface and H surface, which makes me > confusing to calculate the surface energy. > > Any comments are thankful. > > Best regards, > Chol-Jun Yu > > -- > Chol-Jun Yu > Computational Materials Engineering (CME) > Institute of Minerals Engineering (GHI) > Center for Computational Engineering Science (CCES) > RWTH Aachen University (RWTH) > Jülich-Aachen Research Alliance (JARA) > D-52064 Aachen, Mauerstrasse 5, > Tel: +49-241-80-94989 > Fax: +49-241-80-92271 >
