swsym.operator#

Syntax#

[symOp, symInfo] = swsym.operator(sym)

[symOp, symInfo] = swsym.operator(sym,fid)

Description#

[symOp, symInfo] = swsym.operator(sym) generates all symmetry elements from a given set of generators. It also accepts space group labels or space group index or string of symmetry operators.

Input Arguments#

sym

Line index in the symmetry.dat file or string of the symmetry operators or matrix of symmetry generators with dimensions of \([3\times 4\times n_{op}]\). For example: sym = 'P n m a'.

fid

If non-zero, the symmetry operators will be printed to the file identified by fid, the following values are valid:

  • 0 no printed output (default),

  • 1 standard output (Command Line),

  • fid text file opened before using fid = fopen(path).

Output Arguments#

symOp

All the symmetry elements in a matrix with dimensions of \([3\times 4\times n_{op}]\).

symInfo

Structure that contains additional information about the space group with the following fields:

  • name Name of the space group, if the swsym.generator function is called with no input, name stores the name of all space groups from symmetry.dat file in a cell.

  • str The string of the symmetry operations.

  • num The line index in the symmetry.dat file.

See Also#

swsym.generator