[Wien] compilation problem of wien2k

Udai Verma upv at airtelbroadband.in
Thu Nov 1 01:30:54 CET 2007


Dear Users,

Could any body help me how to define the atomic postion in case of In2O3 (Bixbyite structure)

As I have taken  0 0 0 (In)  and .25 .25 .25 O and space group is 206 (la-3) is it ok.

Pradeep
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