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iFit/sw_pointsym

PURPOSE ^

determines point group symmetry of a space group at a given position

SYNOPSIS ^

function pOp = sw_pointsym(sym, r)

DESCRIPTION ^

 determines point group symmetry of a space group at a given position

 pOp = SW_POINTSYM(sym, r)

 It determines point group symmetry in an arbitrary position in the unit
 cell in any space group. Returns all the generators of the point group.

 Input:

 sym           Line index in the symmetry.dat file or string of the
               symmetry operators or a cell containing the output of
               sw_gencoord().
 r             Position in the unit cell, dimensions are [3 1].

 Output:

 pOp           Point group operators, dimensions are [3 3 npOp], these
               operators act on the relative atomic positions (they are in
               the lattice coordinate system). To convert them to
               Cartesian coordinate system, use:
                   R = A*pOp(:,:,ii)*inv(A)
               Where A is a 3x3 matrix, containing the basis vectors of
               the lattice as column vectors.

 See also SW_GENATPOS, SW_GENCOORD, SW_GENSYM, SW_BASISMAT.

CROSS-REFERENCE INFORMATION ^

This function calls: This function is called by:
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