The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear Joshi,

This is basic. Every ABINITioner should understand the basics
before his/her calculations. So it may be left as your homework.;-)
Please look  into our Tutorials (and Test_*) by consulting with
a standard textbook on solid state physics :
http://www.abinit.org/Infos_v4.6/Tutorial/welcome.html

Then you will learn by yourself thanks to our documents
and Tutorials/Test* files. Kindly notice also our Netiquette
  http://www.abinit.org/community/?text=netiquette
and the FAQ :
  http://www.abinit.org/about/?text=../Infos/FAQ

Good continuation and Good luck,
Masayoshi

On 2005/11/09, at 4:39, sachinjoshi9@gmail.com wrote:

> Dear ABINIT users:
>
> My question is regarding input co-ordinates for atoms which are 
> sitting on the edges and corners of the unit cell and hence SHARED 
> between unit cells.  For example if we have a compound AB with atoms 
> 'A' sitting on the 8 Corners of a cubic unit cell and a single atom 
> 'B' at the centre of the unit cell. Do I need to specify the positions 
> of all the 8 ‘A’ atoms of the unit cells in the input? Or will it 
> suffice to specify the positions of just any one ‘A’ atom?
> Any help is highly appreciated
>
> Regards
> Joshi