[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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