#!/usr/bin/env python
# coding: utf-8

# ## AbiPy Notebooks
# 
# This directory contains notebook-based documentation for [AbiPy](https://github.com/abinit/abipy).
# This augments our Sphinx-based [documentation](http://pythonhosted.org/abipy/) with jupyter notebooks 
# containing interactive tutorials and examples.
# 
# Additional examples are available on the:
# 
# * [AbiPy plot gallery](http://abinit.github.io/abipy/gallery/index.html)
# * [AbiPy flow gallery](http://abinit.github.io/abipy/flow_gallery/index.html)
# * [Matgenb website](https://matgenb.materialsvirtuallab.org)
# 
# Beginners should typically start with the three notebooks on Abipy objects,
# continue with the notebook on the GSR.nc output file (and possibly some of those focusing on other output files),
# and then examine the flows notebook.
# 
# 

# ## AbiPy Objects
# 
# * [Structure](structure.ipynb): The crystalline structure
# * [Abinit Input](abinit_input.ipynb): How to create an `AbinitInput`
# * [Input Factories](input_factories.ipynb): Generating input files for high-throughput calculations

# ## Output files supported by AbiPy
# 
# * [GSR.nc](gsr.ipynb): File with ground-state results produced by SCF/NSCF runs.  
# * [HIST.nc](hist.ipynb): File produced by structural relaxations and MD runs    
# * [FATBANDS.nc](efatbands.ipynb): Plot electronic fatbands and L-projected DOS
# * [DDB](ddb.ipynb): Tools to analyze phonons      
# * [SIGRES.nc](sigres.ipynb): How to analyze the results of $GW$ calculations 
# * [MDF.nc](mdf.ipynb): How to analyze the results of Bethe-Salpeter calculations 
# * [Lobster](lobster.ipynb): How to analyze the output files produced by Lobster
# * [ABIWAN.nc](abiwan.ipynb): How to analyze the Wannier90 wout file and the netcdf file produced by Abinit

# ## AbiPy Workflows
# 
# * [Flows](flows.ipynb): How to automate calculations with `Flows`, `Works` and `Tasks`
# 
# This notebook is complemented with the documentation on the [TaskManager Configuration](http://abinit.github.io/abipy/workflows/taskmanager.html): How to specify options in `manager.yml` and `scheduler.yml`  

# ## Abinit + AbiPy Lessons
# 
# This section discusses flows and vizualisation tools for the same topics 
# as some standard ABINIT tutorials.
# Usually, the corresponding ABINIT tutorial has to be followed first. 
# Sometimes there is also a large overlap with some of the previous AbiPy tutorials.
# 
# * [The H<sub>2</sub> molecule](base1/lesson_base1.ipynb)
# * [Crystalline silicon](base3/lesson_base3.ipynb)
# * [Phonons, dielectric tensor and Born effective charges from DFPT](dfpt/lesson_dfpt.ipynb)
# * [$G_0W_0$ band structure](g0w0/lesson_g0w0.ipynb)
# * [Bethe-Salpeter equation and excitonic effects](bse/lesson_bse.ipynb)
# * [E-PH self-energy and T-dependent band structures](sigeph/lesson_sigeph.ipynb)
# * [Phonon linewidths and Eliashberg function of Al](eph_al/lesson_eph.ipynb)
# * [Elastic and piezoelectric properties](elastic/lesson_elastic.ipynb)

# ## Miscellaneous
# 
# * [Ipython widgets](widgets.ipynb): How to use the widgets provided by abipy.display to analyse pandas DataFrames
# * [Useful links](links.ipynb)