[Wien] translation vector

marziye foroughpour dornaforoughpour at gmail.com
Mon Dec 20 20:00:29 CET 2010


Dear users:
 I've  generated the file ABX2.struct for ABX2 in zinc blende. I
specified the number of atoms  8 in  P lattice in the following
configuration.

 I'd like to know how can | create a  ABX2.struct file  in 216  F43m
space group (non-magnetic)   with 3 atoms (A, B, X ) in unit cell.
Because I need a specific symmetry  and supply a symmetry
operation/nonprimitive translation as input for Antiferromagnetic
calculation.
Please guide me.
X(0,0,0) (0, 0.5,0.5) (0.5,0,0.5) (0.5,0.5,0)
B(0.25,0.75,0.75) (0.75,0.25,0.75)
A(0.25,0.25,0.25) (0.75,0.75,0.25)



 Best Regards
Dorna Foroughpour
Department of Physics
Shiraz University
Iran


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