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Input co-ordinates - Shared atoms


Chronological Thread 
  • From: sachinjoshi9@gmail.com
  • To: forum@abinit.org
  • Subject: Input co-ordinates - Shared atoms
  • Date: Tue, 8 Nov 2005 20:39:53 +0100

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



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