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1. 

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   Mingda Li @ 11:25 pm on 10 Jul 2012

   Hello of course Abinit can be helpful. It can calculate

   1.non-magnetic system by setting: nsppol=1,nspinor=1, nspden=1

   2. Collinear Ferromagnetism: nsppol=2, nspinor=1, nspden=2 which means spin density calculates up/down separately, and has two spin polarization, but no need of spinor for relativistic calculation.

   3. anti-ferromagnetic: nsppol=1,nspinor=1,nspden=2

   4. non-collinear magnetism: nsppol=1,nspinor=2,nspden=4

   5. S-L coupling: nsppol=1,nspinor=2,nspden=1 this means taking relativistic spinor wave function into account, while there is no total net spin.

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2. 

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   Fermin Fidel Herrera Aragón @ 11:45 am on 09 Nov 2014

   I liked your comment Mingda Li

   
   
   

   I carried out collinear ferromagnetic for FeCo alloy, and I find good results, but when I carried out for antiferromagnetic for same system I found this error message:

   
   
   

   chkinp: Checking input parameters for consistency, jdtset=   1.

   
   
   

    chkinp: ERROR -
   
     When nsppol==1 and nspden==2, at least one of the symmetry operations
   
     must be anti-ferromagnetic (symafm=-1), in order to deduce the spin-down density
   
     from the spin-up density.
   
     However, it is observed that none of the symmetry operations is anti-ferromagnetic.
   
     Action : Check the atomic positions, the input variables spinat, symrel, tnons, symafm.
   
              In case your system is not antiferromagnetic (it might be ferrimagnetic ...),
   
              you must use nsppol=2 with nspden=2 (the latter being the default when nsppol=2).

   
   
   

    

   
   
   

   Thanks for your help.

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