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