Workflows
+++++++++

.. toctree::
   :maxdepth: 2

This section describes the aiida-kkr workflows.

Generate KKR start potential
----------------------------
.. automodule:: aiida_kkr.workflows.voro_start
   :members:
   :private-members:
   :special-members:

KKR scf cycle
-------------
.. automodule:: aiida_kkr.workflows.kkr_scf
   :members:
   :private-members:
   :special-members:
   
Density of states
-----------------
.. automodule:: aiida_kkr.workflows.dos
   :members:
   :private-members:
   :special-members:

Equation of states
------------------
.. automodule:: aiida_kkr.workflows.eos
   :members:
   :private-members:
   :special-members:

Check KKR parameter convergence
-------------------------------
.. automodule:: aiida_kkr.workflows.check_para_convergence
   :members:
   :private-members:
   :special-members:
   
Find magnetic ground state
--------------------------
.. automodule:: aiida_kkr.workflows.check_magnetic_state
   :members:
   :private-members:
   :special-members:
