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input of crystal structure


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  • From: Bohdan Andriyevsky <bandri@tu.koszalin.pl>
  • To: forum@abinit.org
  • Subject: input of crystal structure
  • Date: Wed, 19 Jan 2005 14:15:27 +0100

Dear ABINITians,
The structure of my crystal is monoclinic (7 or Pc group of symmetry). I have the fractional coordinates of source atoms and two symmetry operations: x,y,z and 1/2x,-y,z. How I have to construct the geometric part of the ABINIT input to include these data?

Thanks in advance for your reply,
Bohdan




  • input of crystal structure, Bohdan Andriyevsky, 01/19/2005

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