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Anonymous

Is there an ABINIT tutorial for ferromagnetic materials?

Suppose that we have a lattice of which we want to examine ferromagnetic properties. Can abinit help? If so, how?

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    Mingda Li

    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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