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non-periodic system

From: Andrey Khavryuchenko <akhavr@gmail.com>
To: forum@abinit.org
Subject: non-periodic system
Date: Sat, 15 Jul 2006 21:24:06 +0300
Organization: KDS Software Group

Hi!

Abinit tutorial contains example of calculating the slab, which defines a
3d-periodic system with big vacuum layer.

OTOH, the abinit documentation mentions keyword vacuum.

What is the proper way to calculate isolated, non-periodic system? How can
I define, then, it's charge and multiplicity?

Thanks in advance.

--
Andrey V Khavryuchenko
Software Development Company http://www.kds.com.ua/

non-periodic system, Andrey Khavryuchenko, 07/15/2006
- Re: [abinit-forum] non-periodic system, Anglade Pierre-Matthieu, 07/15/2006
  - Re: non-periodic system, Andrey Khavryuchenko, 07/17/2006
    - Re: [abinit-forum] Re: non-periodic system, Anglade Pierre-Matthieu, 07/17/2006
      - Re: non-periodic system, Andrey Khavryuchenko, 07/17/2006
- Re: [abinit-forum] non-periodic system, Nuno A. G. Bandeira, 07/15/2006