Syntax
pOp = swsym.point(symOp, r)
Description
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
symOp- Symmetry operators of the space group stored in a matrix with dimensions of \([3\times 4\times n_{op}]\).
r- Column vector with 3 elements, position in the unit cell.
Output Arguments
pOp- 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
BVis the matrix of lattice basis vectors, see spinw.basisvector.