[Pw_forum] << Surface calculations setup >>

[I. Camps]

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
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Joan Crawford<http://www.brainyquote.com/quotes/authors/j/joan_crawford.html>
- "I, Joan Crawford, I believe in the dollar. Everything I earn, I
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