[Wien] help required

arqum hashmi arqumhashmi at yahoo.com
Wed Feb 8 07:46:24 CET 2012


Dear users
i am new user of wien2k.i want to calculate AFM calculation.i read already
about BCC Cr but that is very simple case. But i dn't know how to find the
proper symetry operation matrices for any case?
My structure is Rohmbohedral and
when i made supercell now it is hexagonal then now how can i give proper symmetry
operation which converts spin up into dn????
Please guide me about this or tell me about any literature which explains symmetry operation (rotation + translation vector) which
transforms the spin-up into the spin-dn atom.
i will be very thankful to you.
Best Regards
Arqum Hashmi
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