swsym.bond

Syntax

[genBond, uBond] = swsym.bond(r,bv,bond,symOp)

[genBond, uBond] = swsym.bond(r,bv,bond,symOp,tol)

Description

[genBond, uBond] = swsym.bond(r,bv,bond,symOp) generates all bonds that are symmetry equivalent to the given bond. The function uses the given space group operators and positions of magnetic atoms to return a list of equivalent bonds in a matrix. The function also checks the validity of the calculation by measuring the length of each equivalent bond using the given bv base and if the difference in length between equivalent bonds is larger than the tolerance throws a warning.

[genBond, uBond] = swsym.bond(r,bv,bond,symOp,tol) also defines the tolerance using tol.

Input Arguments

r

Positions of the magnetic atoms in lattice units stored in a matrix with dimensions of $[3\times n_{magAtom}]$.

bv

Basis vectors that define the lattice, used for checking the bond length of equivalent bonds, see spinw.basisvector for details.

bond

Vector that contains the starting bond with elements of [dl_a dl_b dl_c atom_1 atom_2], where dl is vector of lattice translation between the two atoms if they are not in the same unit cell in lattice units, atom_1 and atom_2 are indices of atoms in the list of positions stored in r.

symOp

Matrix, that contains the rotation and translation operators of the space group with dimensions of $[3\times 4\times n_{op}]$.

tol

Tolerance, default value is $10^{-5}$.

Output Arguments

genBond

Matrix, whith each column defines a bond, the meaning of each row is the same as the input bond variable.

uBond

Logical variable, true if all the generated bonds are unique.

See Also

spinw.gencoupling | swsym.operator | swsym.position