[Wien] space group

[Jinjan Ren]

Eear All:
            When I am setting up the imput file for the calculation, I canot
            find the C2/m (12) space group in the wien2k homepage. So how can
            I set up the imput file ?
Thanks a lot!
Jinjun


zafar rasheed wrote on 2013-01-11:
> 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