Syntax

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

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

Description

[symOp, symInfo] = swsym.generator(sym) gives the symmetry operators based on a given space group number or a string of symmetry operators. Without arguments, the function returns the name of all space groups stored in symmetry.dat file.

[symOp, symInfo] = swsym.generator(sym,fid) also prints the symmetry operators to the file identified by fid.

Input Arguments

sym
Either the label of the space group or the index from the International Tables of Crystallography or string containing the space group operators in the same format as used in the symmetry.dat file (for details see swsym.str).
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
Symmetry operators in a matrix with dimensions of .
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.add | spinw | spinw.gencoupling | swsym.position