The ABINIT Users Mailing List ( CLOSED )

[晨halo <ares.du@live.cn>]

 

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dear abinit users,
 
   i found in some papers, they always say "To examine the stability of the local magnetic state, we calculate the energy difference between the diamagnetic(DM) antiferromagnetic (AFM) and ferromagnetic(FM) states."
 i know that in the case of FM, I need to do only spin-polarized calculation with start magntic moment, while for AF, I should define 2 different atoms having opposite spin by assigning + and - magnetic moments. is this right?
  but i really donot know how to set up a cell for the diamagnetic material, and how to set the start magnetic moment?
thank you!
 
best regards! 
 
 

 

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