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07 May 2012
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?
Fermin Fidel Herrera Aragón
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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10 Jul 2012
Hello of course Abinit can be helpful. It can calculate
1.non-magnetic system by setting:
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.
4. non-collinear magnetism:
5. S-L coupling:
this means taking relativistic spinor wave function into account, while there is no total net spin.
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