[Wien] Rhombhohedral coordinates needed in simulation of LiNiO2

[shamik chakrabarti]

Dear Wien2k users,

           I want to simulate properties of LiNiO2. However, adopting the
structure (file attached) by bringing it into rhombohedral axis in Vesta,
when I copy the cif file into the working directory & converting it into a
struct file, after save structure, it complains about

" positions must be specified in rhombohedral coordinates!"

Please guide.

with regards,

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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