NAME¶

cif_supercell - generate a supercell from the input CIF file.

SYNOPSIS¶

cif_supercell --options input.cif inputs*.cif

DESCRIPTION¶

Generate a supercell from the input CIF file.

OPTIONS¶

--span -1:1,-1:1,-1:1
Specify the span of the supercell.
Default: "-1:1,-1:1,-1:1".

--randomise-disorder
Select random disorder groups for each assembly,
independently for each cell in a supercell.

--no-randomise-disorder
Output disorder as given in the original input.
Default.

--random-seed 123456
Use the provided seed to initialise the random
number generator. Use "" (empty string) as a seed
to revert back to the default seed.

--force
Force processing of non-P1 structures.

--no-force
Do not force (refuse to process) non-P1 structures.
Default.

--use-c-parser
Use the faster C parser for parsing CIFs. Default.

--use-perl-parser
Use the Perl parser for parsing CIFs.

--help, --usage
Output a short usage message (this message) and exit.

--version
Output version information and exit.

REPORTING BUGS¶

Report cif_supercell bugs using e-mail: cod-bugs@ibt.lt