The ABINIT Users Mailing List ( CLOSED )

[Matthieu Verstraete <mjv500@york.ac.uk>]

Dear Ariesto,

to be able to post to the abinit forum you must become a member. See 
http://www.abinit.org/wws and
http://www.abinit.org/wws/info/forum

Abinit is a strictly periodic code in all 3 dimensions. The standard 
procedure for slabs wires or molecules is to use a supercell. See the 
references cited in the web pages for references about this if you are not 
clear about this.

Matthieu

--
================================================================
Dr. Matthieu Verstraete                 mailto:mjv500@york.ac.uk
Dept. of Physics, University of York,     tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14

---------- Forwarded message ----------
Date: Mon, 15 Jan 2007 05:43:28 +0700
From: m_ariesto <m_ariesto@brawijaya.ac.id>
To: mjv500@york.ac.uk
Subject: can abinit handle semiinfinite system?

Dear Dr. Matthieu Verstraete, 
I ask your question personaly because my mail sent to forum have been rejected 
with no clear reason.

I wonder can we calculate semi infinite (e.g. infinite along x direction and 
limited by 2 edges along y direction, like  model of graphene )?
how do we set k point option and rprim then? 
your explanation will be valuable for me.
yours sincerely,
Ariesto