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 .
r
Column vector with 3 elements, position in the unit cell.

Output Arguments

pOp
Point group operators in a matrix with dimensions of , 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