[Wien] x symmetry failed

[Hu Qingmiao]

Dear Wien2K user,
 
I'm trying to calculate Cr2O3 with Rhombohedral structure. The initiation process stoped at "x symmetry" with error message: " ERROR: negative position in rstruc. Please report".  I couldn't find any error in the structure file since "nn" and "sgroup" finished successfully. Could you please help? Attached please find my structure file.
 
Thanks in advance.
 
Yours sincerely,
Qing-Miao Hu
 
Institute of Metal Research, Chinese Academy of Sciences
Wenhua Road 72, Shenyang 110016, China
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