[Pw_forum] Help in cif file atomic positions

[Krishnaiah Kallamadi]

Dear friends,

In a *cif* file attached below, two different atoms have same atomic
positions with occupancy of 0.5. Due to this i am not able to generate *scf.in
<http://scf.in>* file from cif2cell program. Please help me.

N1 N 1.0000 1.0000 0.21657(2) 0.36(10) Uani 0.5 6 d S T P C 2

C1 C 1.0000 1.0000 0.21657(2) 0.36(10) Uani 0.5 6 d DS T P A 1


-- 
Thanks and Regards,

K.Krishna
PhD Student, MSE-Department
IIT Kanpur
India
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