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- From: "Dipankar Saha" <dipankar_saha@hotmail.com>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] how to define a super cell ?
- Date: Sat, 14 Jan 2006 20:23:25 -0500
Hi,
you can also use xtaledit. It is very easy to use. It has some very basic primitve commands to generate supercell or any structure you want.
Thanks & Regards,
Dipankar Saha
From: Anglade Pierre-Matthieu <anglade@gmail.com>
Reply-To: forum@abinit.org
To: forum@abinit.org
Subject: Re: [abinit-forum] how to define a super cell ?
Date: Sat, 14 Jan 2006 11:41:40 +0100
usualy for large super cell people write some small script/program to
output directly the coordinate of each atom and other related input
variable of abinit (typat, natom,...).
This is quite easy and it will avoid you some mistakes.
--
Pierre-Matthieu Anglade
- how to define a super cell ?, lbo, 01/14/2006
- Re: [abinit-forum] how to define a super cell ?, Anglade Pierre-Matthieu, 01/14/2006
- Re: [abinit-forum] how to define a super cell ?, Dipankar Saha, 01/15/2006
- Re: [abinit-forum] how to define a super cell ?, Anglade Pierre-Matthieu, 01/14/2006
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