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- 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
- Input co-ordinates - Shared atoms, sachinjoshi9, 11/08/2005
- Re: [abinit-forum] Input co-ordinates - Shared atoms, Masayoshi Mikami, 11/09/2005
- Re: [abinit-forum] Input co-ordinates - Shared atoms, Anglade Pierre-Matthieu, 11/09/2005
- Re: [abinit-forum] Input co-ordinates - Shared atoms, Masayoshi Mikami, 11/09/2005
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