creates the interactions matrices (connectors and values)
[SS, SI, RR] = INTMATRIX(obj, 'Option1', Value1, ...)
Input:
obj Input sw class object.
Options:
fitmode Can be used to speed up calculation, modes:
0 No speedup, default.
1 Only atomic positions are precalculated and equivalent
coupling matrices are summed up.
2 Same as mode == 1, moreover only SS.all is calculated.
plotmode If true, additional rows are added to SS.all, to identify
the couplings for plotting. Default is false.
sortDM If tru each coupling is sorted for consistent plotting of
the DM interaction. Sorting is based on the dR distance
vector, pointing from atom1 to atom2. Its components should
fulfill the following rules in hierarchical order:
1. dR(x) > 0
2. dR(y) > 0
3. dR(z) > 0.
Default is false.
zeroC Whether to output bonds with assigned matrices that are
zero. Default is false.
extend If true, all bonds in the magnetic supercell will be
generated, if false, only the bonds in the crystallographic
unit cell is calculated. Default is true.
conjugate Introduce the conjugate of the couplings (atom1 and atom2
exchanged). Default is false.
rotMat Rotate the J and A matrices according to the point group
operations between symmetry equivalent sites. Default is
true.
Output:
SS Structure with fields {iso,aniso,dm,gen}. It describes
the interactions between spins. Every field is a matrix,
where every column is a coupling between two spins. The
first 3 rows contain the unit cell translation vector
between the interacting spins, the 4th and 5th row contains
the indices of the two interacting spins in the 'spin'
variable. The following rows contains the strength of the
interaction. For isotropic exchange it is a single number,
for DM interaction [DMx; DMy; DMz], for anisotropic
interaction [Jxx; Jyy; Jzz] and for general interaction
[Jxx; Jxy; Jxz; Jyx; Jyy; Jyz; Jzx; Jzy; Jzz]
For example:
SS.iso = [dLatX; dLatY; dLatZ; spinIdx1; spinIdx2; Jval].
For plotmode true, two additional rows are added to SS.all,
that contains the idx indices of the obj.matrix(:,:,idx)
corresponding matrix for each coupling and the .idx values
of the couplings.
SI Single ion energy, due to anisotropy and magnetic field.
SI.aniso Matrix with dimensions of [3 3 nMagAtom] sized matrix,
where the energy of the i-th spin is
E_aniso = spin(:)*A(:,:,i)*spin(:)'.
SI.g g-tensor, with dimensions of [3 3 nMagAtom]. It determines
the energy of the magnetic moment in external field:
E_field = B(:)*g(:,:,i)*spin(:)'.
SI.field External magnetic field [Bx By Bz].
RR Positions of the atoms in lattice units, dimensions are
[3 nMAgExt].
See also SW.COUPLINGTABLE.