[Pw_forum] overlap of atoms

Payam Norouzzadeh payam.norouzzadeh at gmail.com
Fri Jun 4 15:25:32 CEST 2010

Thank you Prof.Baroni for your reply.

Actually I used both Xcrysden and Jmol to visualize the structure. The
result was good and also I compared the result with
available pictures of that structure in literature.One problem is that the
positions like  0 0 0 and 0.5 0.5 0.5 are considered overlapped
in this structure by QE probably because of symmetry.

Best regards,Payam Norouzzadeh
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