.. _keywords: ---------------------- keywords ---------------------- The keywords group contains the most important controls for the overall calculation. The keywords contained within this group are: .. list-table:: SCF Keyword Descriptions :header-rows: 1 * - Keyword - Brief * - :ref:`scf_keywords` - Controls SCF behaviour. See :ref:`scf_keywords` * - :ref:`frag` - Controls fragmentation behaviour. See :ref:`frag` * - :ref:`guess` - Controls guess behaviour. See :ref:`guess` * - :ref:`optimization` - Controls optimization behaviour. See :ref:`optimization` * - :ref:`dynamics` - Controls AIMD behaviour. See :ref:`dynamics` * - :ref:`boundary` - Controls periodic boundary condition behaviour. See :ref:`boundary` * - :ref:`ff` - Controls classical force fields. See :ref:`ff` * - :ref:`log` - Controls the logging of the program. See :ref:`log` * - :ref:`export` - Controls what quantities are exported to HDF5 files. See :ref:`export` * - :ref:`rtat` - Controls the runtime autotune of matrices. See :ref:`rtat` * - :ref:`debug` - Controls debug settings. See :ref:`debug` .. include:: keywords/scf.inc .. include:: keywords/frag.inc .. include:: keywords/guess.inc .. include:: keywords/optimization.inc .. include:: keywords/dynamics.inc .. include:: keywords/log_rtat_debug.inc .. include:: keywords/export.inc