[Wien] Generating Structure of a spacegroup Problem :(

[Santu Baidya]

Dear Wien2k users,   I am trying to generate a structure of a compound with
space group No. 187 (P-6m2) using WIEN2k_07.3 (Release 13/8/2007). The
compound has hexagonal primitive unit cell. So the coordinates are in
hexagonal setting as obtained in the literatures. But after generating the
structure the inequivalent atoms are split into such a no. of atoms which
is not according to their wyckoff positions. Even I tried to convert the
hexagonal coordinates into rhombohedral coordinates and use them to
generate the structure but again I am getting wrong splitting of atoms. So
could anyone please tell me what is the problem here. Thanks .

Santu Baidya
SRF
SNBNCBS
Material Science
Kolkata-700098


-- 
*"The happiest people do not always have the best of all,* * they simply
appreciate  what they find on their way!!!" SANTU
*
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