[Wien] translation vector

[Tomas Kana]

Dear Dorna Foroughpour, 
 If you need an antiferromagnetic calculation,  
 I would start making the  structure in w2web llike this: 
 The number of space group 216  F-43m  instead of primitive lattice P. 
  Then you give your atoms as A: 0,0,0 
 B: 1/4, 1/4, 1/4
  Initialize this zinc blende structure and then simply run 
 x supercell. 
  You need 1 cell in each direction, zero shift and zero vacuums in all directions.
 Your target lattice type should be P. 
 Then you have  zinc blende structure expressed in primitive  cubic lattice. 
  Then you can make some atoms as non-nequivalent by adding numbers to them 
 in w2web or your structure file. 
         Hope this helps                Tomas 

----------------------------------------
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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