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How to set the rprim of the base-centered orthorhombic lattice(space group 36)?


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  • From: "Rain man" <hydeng2007@gmail.com>
  • To: "forum@abinit.org" <forum@abinit.org>
  • Subject: How to set the rprim of the base-centered orthorhombic lattice(space group 36)?
  • Date: Sun, 22 Jul 2007 10:26:01 +0800
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Dear abiniter,

For a base-centered orthorhombic lattice (space group 36),
 when I set the rprim as
1 0 0
-0.5 0.5 0
0 0 1,
the abinit gives the calculated space group as 4.
In addition, when I set the angdeg as
90 90 90,
the abinit gives the calculated space group as 26.
Wha's wrong with me?

Thanks to X Gonze for his reply to my previous question!  I admire him very much!

Rain man



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