<DIV>Dear all:</DIV>
<DIV> I want to set two equivalent Fe atoms in one unit cell with one spin-up the other spin-down.How can I do this? Should I first set the two equivalent Fe atoms to inequivalent ones? If so,the spacegroup of the system should be changed during the structure generation process,shouldn't it?</DIV>
<DIV> Thanks in advance!</DIV>
<DIV> </DIV>
<DIV>Mingcui Ding </DIV>
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