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[abinit-forum] hexagonal space groups

From: Prasun Sharma Chowdhury <psc1983@gmail.com>
To: forum@abinit.org
Subject: [abinit-forum] hexagonal space groups
Date: Thu, 2 Jul 2009 18:34:24 +0530
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Dear all,
Can anyone tell me what should be difference between the .in files constructed on space group P6/mmm and P63/mmc? actually i followed the following links..

http://cst-www.nrl.navy.mil/lattice/struk/a_f.html
http://cst-www.nrl.navy.mil/lattice/struk/a3.html

and they showed a diference in basis vectors... i.e. a difference in xred. but when i am inserting the xred for P63/mmc (i.e. 1/3 2/3 1/4), the output shows that the sp grp is P6/mmm! pls help me..

prasun

[abinit-forum] hexagonal space groups, Prasun Sharma Chowdhury, 07/02/2009
- [abinit-forum] cancel, Stephen E. Derenzo, 07/02/2009