The following examples demonstrate how the ``sconv`` command line tool
can be used to extract atomic structures and their properties from
output files produced by electronic structure software.

Data acquisition with :doc:`tools/sconv`
----------------------------------------

*  Extract structures, energies, and atomic forces from VASP
   calculations.

   The following will extract the final atomic structure from a
   ``vasprun.xml`` file generated by VASP, for example, with a geometry
   optimization.  The total energy, lattice parameters, atomic coordinates
   and forces will be written out to a file named ``final_structure.xsf`` in ænet's XSF
   format.

.. sourcecode:: console

   $ aenet sconv vasprun.xml final_structure.xsf

*  Extract all structures, their energies and atomic forces from VASP
   calculations.  This will generate a series of XSF file named
   ``frame-<i>.xsf`` for each *ionic* iteration of the VASP calculation.

.. sourcecode:: console

   $ aenet sconv --split vasprun.xml frame.xsf

*  The same also works with output generated by Quantum Espresso's
   ``pw.x`` and FHI-aims.  Since the output files have no unique names,
   the *input format* needs to be specified using the ``-i`` flag.

.. sourcecode:: console

   $ aenet sconv -i pw pw.out final_structure.xsf
   $ aenet sconv -i aimsout aims.out final_structure.xsf

.. note::

   ``aenet sconv --formats`` prints out a complete list of supported
   file formats.