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[abinit-forum] Crystal structure information to primitive cell ...

From: "Chaitanya Krishna" <icymist@gmail.com>
To: forum@abinit.org
Subject: [abinit-forum] Crystal structure information to primitive cell ...
Date: Mon, 15 Sep 2008 18:56:37 +0200
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Hello all,

Given the crystal structure information, like

11.11 11.11 11.11 90 90 90
FeI 1 32e 0.29424 0.29424 0.29424
FeII 2 16d 0.5 0.5 0.5
Mo 3 48f 0.32151 0.125 0.125
C 4 16c 0.0 0.0 0.0

how can one easily get the primitive unit cell of the structure?

Thanks,
Chaitanya.

[abinit-forum] Crystal structure information to primitive cell ..., Chaitanya Krishna, 09/15/2008
- Re: [abinit-forum] Crystal structure information to primitive cell ..., Anglade Pierre-Matthieu, 09/16/2008
  - Re: [abinit-forum] Crystal structure information to primitive cell ..., Chaitanya Krishna, 09/16/2008
    - Re: [abinit-forum] Crystal structure information to primitive cell ..., Anglade Pierre-Matthieu, 09/16/2008
      - Re: [abinit-forum] Crystal structure information to primitive cell ..., Chaitanya Krishna, 09/16/2008
        
        Re: [abinit-forum] Crystal structure information to primitive cell ..., Anglade Pierre-Matthieu, 09/16/2008