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 COD database; this
                         reader should be granted 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)