NAME

       oqmd2cif - retrieve structures from the Open Quantum Materials Database and write them out
       in CIF format.

SYNOPSIS

       oqmd2cif --options structure1_id structure*_id

DESCRIPTION

       Retrieve structures from the Open Quantum Materials Database and write  them  out  in  CIF
       format.

OPTIONS

       -L, --limit 10, --limit 1000,10
                         Add the limit clause to the structure query statement
                         (default: all structures are output from the database).

       -L-, --no-limit
                         Remove any previously set query limits.

       -F, --float-format "%15.12f"
                         Specify format to print out floating point numbers.

       -A, --atom-format "%15.12f"
                         Specify format to print out floating point numbers
                         for unit cell parameters.

       -C, --cell-format "%15.12f"
                         Specify format to print out floating point numbers
                         for atomic coordinates.

       --platform 'SQLite'
                         Use the SQL database platform 'SQLite' to query
                         structures (default: 'mysql').

       -d, --database  cod
                         Use database "cod" to query for structures.

       -h, --host   www.crystallography.net

       -s, --server www.crystallography.net
                         Query COD database on the host 'www.crystallography.net'.

       -l, --localhost
                         Use database server on the localhost to query the COD
                         database.

       -p, --port 3306
                         Use use the specified port to query structures
                         (default: 3306).

       -t, --table  data
                         Use SQL table "data" to query for structures.

       -u, --user reader
                         Use user name "reader" to access the COD database.
                         This user should have at least the SELECT privilege,
                         i.e. should be able to read the COD database, without
                         supplying a password.

       --password
                         Use the specified password to connect (default: '').

       --debug, --no-debug
                         Switch on or off debug printouts.

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

       --version
                         Output version information and exit.

REPORTING BUGS

       Report oqmd2cif bugs using e-mail: cod-bugs@ibt.lt

                                                                                      OQMD2CIF(1)