[Pw_forum] antiferromagnetism in ZB input file with 2 atoms

Paolo Giannozzi giannozz at democritos.it
Sun Mar 29 14:10:47 CEST 2009


On Mar 29, 2009, at 1:5

> I would like to ask you if there is any way to specify the  
> antiferromagnetic
> case for the same input file ?

no

> or must I use an input file of 8 atoms?

you need to use a supercell

P.
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Paolo Giannozzi, Democritos and University of Udine, Italy




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