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problem of finding spacegroup

From: Salima Saib <saibsalima@yahoo.fr>
To: forum@abinit.org
Subject: problem of finding spacegroup
Date: Fri, 12 Oct 2007 12:14:37 +0200 (CEST)
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hello
i am using abinit version 4.6.5
now i am studing chalcopyrite system, wich has the
space group 122. the abinit
did not detect this space group,
my input file is
2*a c
0.5 0.5 -0.5
0.5 -0.5 0.5
-0.5 0.5 0.5
ntypat 3
znucl z1 z2 z3
xred
0.0 0.0 0.0
0.5 0.0 0.25
0.5 0.5 0.0
0.0 0.5 0.25
0.25 0.25 0.125
-0.25 -0.25 0.125
0.25 -0.25 -0.125
-0.25 0.25 -0.125
please can every body having similar problems in the
past, can help me
best regards
salima

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problem of finding spacegroup, Salima Saib, 10/12/2007
- Re: [abinit-forum] problem of finding spacegroup, Masayoshi Mikami, 10/12/2007