[Wien] ROTODEF error

[zafar rasheed]

Dear All 

I am using WIEN2K version 9. I want to do some electronic mechanical calculations of ZnO (zinc blend phase) wit some other metallic defects using 4 Zinc atoms 2 O atoms and 2 S atoms. In this process I use P as lattice type and take Zn at 0.0 0.0 0.0       0.5 0.5 0.0      0.5 0.0 0.5     0.0 0.5 0.5 
                       O    0.25   0.25  0.25     0.75  0.75  0.25
                       S    0.75   0.25   0.75     0.25  0.75  0.75

But  it gives warning when we go at VIEWOUTPUTSGROUP and says that your lattice type changed which is not my required structure file. When I proceed with above  structure an error ROTDEF error occurs.

May some body helps me to resolve this problem.

Muhammad Zafar

PhD Scholar

Department of Physics

The Islamia University of Bahawalpur,Pakistan
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