[Wien] MgB2 in Wien2k
Atul Agnihotri
wien_materials at rediffmail.com
Sat Nov 6 04:50:47 CET 2004
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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
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