Re: [SIESTA-L] surface energy with h passivation

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 surf

[SIESTA-L] surface energy with h passivation

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 thankfu