[Wien] ÑÏ: [Wien] MgB2 in Wien2k

[Hamid.Alaa]

Herewith the structure file of the MgB2.struct. I hope it will be helpful
 
Alaa S Hamid
Nanomaterials group 
National Institute for Materials Science (NIMS)
Namiki 1-1, Tsukuba, Ibaraki-305-8573
Japan
-----الرسالة الأصلية-----
من: wien-admin at zeus.theochem.tuwien.ac.at [mailto:wien-admin at zeus.theochem.tuwien.ac.at] بالنيابة عن Atul Agnihotri
تاريخ الإرسال: Friday, November 05, 2004 7:51 PM
إلى: wien at zeus.theochem.tuwien.ac.at
الموضوع: [Wien] MgB2 in Wien2k
 
  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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