Hi,1. If you cut crystal along (hkl) plan you will have (hkl) surface 2. I don't know if there is such document. Here is how I learned: start with simple cubic crystal, then from (100) surface, (110) then (111) surface.
Good luck, D. On Wed, Sep 2, 2009 at 7:18 AM, I. Camps <i_camps at yahoo.com.br> wrote: > Dear PWscf users, > > I am new to QE and to PWscf. > > I would like to know how to set up surface calculations (I read the on-line > manual, FAQs, examples, etc.). > > My questions: > > 1-) Is there a formal definition to a surface (in the same way I define a > crystal with Bravais lattice, space group, etc.) or I have to use a bunch of > atoms representing the surface? > 2-) How do I select from the crystal which atoms correspond to a given > surface? > > I will be very grateful if you can indicate me any resource in order to > learn this. > > []s, > > Camps > ___ > Joan Crawford<http://www.brainyquote.com/quotes/authors/j/joan_crawford.html> > - "I, Joan Crawford, I believe in the dollar. Everything I earn, I spend." > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090902/88115d4c/attachment.htm
