[Wien] Why is the calculated lattice volume only the half of the unit cell volume of CoSb3?

[Z.J.]

 Hi,well-beloved professor Blaha and all WIEN2k users,
     I use the latest vision of wien2k to optimize the lattice paremeter of
CoSb3(space group is Im-3 and the number of space group is 204). And I
choose the option of "vary VOLUME with constant a:b:c ratio" at the first
step. The lattice parameter of CoSb3 is 17.07955404 a.u. and the vomume of
the unit cell is 4982.296631 cube a.u.. There is no error in the process of
calculation of optimization. However, the calculated volume of unit cell is
only the half of the unit cell  volume of CoSb3.  Is the calculated result
right? What is the matter?Please help me. By the way, what is the relation
between the conventional cell and the unit cell of CoSb3? Thank you very
much.
    Best regards.

Yours sincerely,


Z.J.
Pan



-- 
School of Materials Science and Engineering
Central South niversity
Z.J. Pan
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