| CIF_FIND_SYMMETRY(1) | General Commands Manual | CIF_FIND_SYMMETRY(1) |
cif_find_symmetry - find the symmetry of the atoms in the unit cell of a CIF crystal structure. In order to obtain correct results most of the time, all atoms of the unit cell should be present in the input. This can be achieved by using cif_p1 or similar programs.
cif_find_symmetry --options input1.cif input*.cif
Find the symmetry of the atoms in the unit cell of a CIF crystal structure. In order to obtain correct results most of the time, all atoms of the unit cell should be present in the input. This can be achieved by using cif_p1 or similar programs.
--precision 1e-5,
--symmetry-precision 1e-5
Tolerance of distance between atomic positions and between
lengths of lattice vectors to be tolerated in the symmetry
finding (default: 1e-5).
--use-spglib
Use spglib for symmetry search. Currently, spglib is
the only implemented method.
-F, --float-format "%.12g"
Specify format to print out floating point numbers.
--dump-symmetry-dataset
Suppress regular output and dump symmetry data structure,
as returned from spglib.
--dont-dump-symmetry-dataset,
--no-dump-symmetry-dataset
Produce regular output.
--use-perl-parser
Use Perl parser for CIF parsing.
--use-c-parser
Use Perl & C parser for CIF parsing (default).
--help, --usage
Output a short usage message (this message) and exit.
--version
Output version information and exit.
Report cif_find_symmetry bugs using e-mail: cod-bugs@ibt.lt