.. _Exciting:

Exciting
========

De acordo com a `página do Exciting <http://exciting-code.org/>`_,
"*exciting is a full-potential all-electron density-functional-theory package
implementing the families of linearized augmented planewave methods. It can be
applied to all kinds of materials, irrespective of the atomic species involved,
and also allows for exploring the physics of core electrons. A particular focus
are excited states within many-body perturbation theory*".

Versões Disponíveis
-------------------

* exciting/carbon


Submissão de Jobs em Paralelo
-----------------------------

Crie um arquivo chamado, por exemplo, *submit_paral_jobs.sh*.

.. code-block:: bash

   #!/bin/bash
   #SBATCH -t 30-00 -n 8

   ulimit -s unlimited

   module load exciting/carbon
   export WAIT_CHECKPOINT="300"

   export INPUT="input.xml"
   export OUTPUT="*"

   job-nanny srun -n 8 excitingmpi


Para submeter o processo, basta usar o comando:

.. code-block:: bash

   sbatch submit_paral_jobs.sh


Referências
-----------

Para informações adicionais sobre o software, consulte a `documentação do Exciting <http://exciting-code.org/tutorials-carbon>`_.