.. _vasp_ug:

Interface to VASP
*****************

Pylada provides an interface wrapping the VASP_ density functional theory code.
This interface manages the input to VASP_, launching the code itself (as an
external program), and retrieving the results as python object. When combined
with the job framework and its attendant ipython_ interface, it becomes a
powerful building block to create complex computational schemes.

The following is an introduction on how to use the interface by itself. It is
most usefull, however, in conjunction with the high-throughput :ref:`scheme
<jobfolder_ug>` and its :ref:`ipython interface <ipython_ug>`.

.. currentmodule:: pylada.vasp

.. toctree:: 
   :maxdepth: 1

   A fast primer <vasp/primer>

   Configuring Pylada for VASP <vasp/config>

   Reading from pre-existing VASP files <vasp/reading>

   Creating and Setting up the vasp functional <vasp/creating>

   Executing a VASP calculation <vasp/running>

   Extracting results from VASP calculations <vasp/extract>
   
   A *meta*-functional: Strain relaxation <vasp/relax>

   Example: Epitaxial relaxation method <vasp/example>