[Wien] MgB2 in Wien2k

[Franco Jona]

   Dear Atul Agnihotri,

     There are many studies of MgB2 reported in the literature.
A small sample is:

   - A review article by P.C. Canfield and G.W. Crabtree in
      Physics Today has 18 references to works on MgB2.

   - D.M. Gaitonde et al, Bull. Mater. Sci. 26, 137 (2003)
           (use WIEN97-GGA)

   - J. Kortus, Phys. Rev. Letters 86, 4646 (2001) (WIEN97)

   - A.K.M.A. Islam et al, J. Phys: Condens. Matter 13,L641 (2001)

   - V. Milman and M.C. Warren, J. Phys. Condens. Matter 13, 5585 (2001)

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Atul Agnihotri wrote:

>  Dear All,
> I am new to Wien2K and I am trying with the system MgB2.Its space group is 191(P 6/mmm).I have used the position of Mg as (0,0,0) and of B as (0.5,0.5,0.5).
> Am I correct? 
>Have anybody tried with this system?Then plese give the case.struct file to me.
>
>Regards,
>Atul
>
>  
>