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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
- How to set the rprim of the base-centered orthorhombic lattice(space group 36)?, Rain man, 07/22/2007
- Re: [abinit-forum] How to set the rprim of the base-centered orthorhombic lattice(space group 36)?, asubedi, 07/22/2007
- Re: [abinit-forum] How to set the rprim of the base-centered orthorhombic lattice(space group 36)?, Anglade Pierre-Matthieu, 07/22/2007
- Re: [abinit-forum] How to set the rprim of the base-centered orthorhombic lattice(space group 36)?, asubedi, 07/22/2007
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