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." -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090902/506bc47c/attachment.htm
