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Re: [abinit-forum] how to define a super cell ?


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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






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