pOp = swsym.point(symOp, r)


pOp = swsym.point(symOp, r) determines the point group symmetry at a given position in the unit cell in a given space group. It returns all the rotation matrices of the point group.

Input Arguments

Symmetry operators of the space group stored in a matrix with dimensions of \([3\times 4\times n_{op}]\).
Column vector with 3 elements, position in the unit cell.

Output Arguments

Point group operators in a matrix with dimensions of \([3\times 3\times n_{op}]\), the operators act on the relative atomic positions. To convert these rotation operators to Cartesian coordinate system, use:
R = BV*pOp(:,:,i)*inv(BV)

where BV is the matrix of lattice basis vectors, see spinw.basisvector.

See Also

swsym.generator | swsym.operator | swsym.position