[Wien] negative position in rstruc.

[水牧 仁一朗]

Dear Prof. Peter Blaha, and Wien2k users,

I try to the band structure of LaCoO3.

I use LaCoO3 structure information as follows.
Space Group # 167 R-3C
a=5.44A b= 5.44A c=13.1A
alpha=beta=90 gamma=120
atom position 
La (0.25,0.25,0.25)
Co (0.00,0.00,0.00)
O (0.1978,0.3022,0.75)

When I run the command "x symmetry",
I meet the error " negative position in rstruc."
Wien2k said that Please report.

How I overcome this problem ?

Please tell me.

Masaichiro Mizumaki

 
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