[Wien] how to set supercell of Cmmm structure for MnF2

[Kejin.Zhou]

Dear P.Blaha
    I want to do the AFM calculation for rutile MnF2. In yours paper (PRB,48,pp12672,1993) it means that AFM MnF2 has an orthorhombic unit cell(Cmmm), which is doubled with respect to the rutile unit cell. But userguide tells me that C types not supported in supercell. I don't know how to construct it. Can anyone give me some advice?
     By the way, i have done LSDA+U and LSDA calculations for simple rutile MnF2. Is it a non-magnetic calculation or a paramagnetic one? And what's the difference between simple calculation and AFM ?



Sincerely yours,
Zhou Ke jin

       
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                      11:58:35    2006-04-04 
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