.. test123 documentation master file, created by
   sphinx-quickstart on Fri Aug  5 01:46:11 2011.
   You can adapt this file completely to your liking, but it should at least
   contain the root `toctree` directive.

What's New
==============
This will serve as our tutorial archive. I have initiated it with the Hartree-Fock tutorial.

Hartree-Fock
===================================
These tutorials focus on the physics of Hartree-Fock and how to execute calculations
using tb_tools.py. This is a code which allows us to take in a real space Hamiltonian and do some useful
calculations with it. In particluar, the tetrahedron method is fully plugged
into this code in order to allow one to do highly accurate k-summations in
three dimensions. 


.. toctree::
   :maxdepth: 1

   hartree_fock/hartree_fock.rst

DFT procedures
====================
How to perform different types of DFT computations using different types of codes. 
An effort will be made to repeat the same procedure with a variety of different codes.

Relaxation Runs
-----------------
This section covers how to relax a structure. Eventually we should add more complicated
examples like relaxing in a particular direction.

.. toctree::
   :maxdepth: 1

   dft_procedures/relax/srvo3/vasp/index

Density of States
--------------------
.. toctree::
   :maxdepth: 1

   dft_procedures/dos/srvo3/vasp/index

Band Structures
--------------------
.. toctree::
   :maxdepth: 1

   dft_procedures/bands/srvo3/vasp/index

Fat Band Structures
--------------------
.. toctree::
   :maxdepth: 1

   dft_procedures/fat_bands/graphene_on_cu/vasp/index

SQS
--------

.. toctree::
   :maxdepth: 1

   dft_procedures/sqs/index

Linear Response U
---------------------
.. toctree::
   :maxdepth: 1

   dft_procedures/linear_response_u/index

Nontechnical
--------------
Here we will give tutorials that are nontechnical, but useful to performing research.

.. toctree::
   :maxdepth: 1

   nontechnical/poster/index

DMFT related tutorials
=========================
This documents the tutorial series that we held in summer of 2015. The goal is
to be able to understand DFT+DMFT, mainly to do with the DMFT aspects. Given
that there is no good single reference, we tried to cover all the necessary
topics from a minimal perspective. 

  #. **DFT+DMFT: A practical approach** :download:`PDF <dmft_series/dft_dmft_practical_eric.pdf>`: 
     This tutorial was done by Eric. The general idea was to show how to do DFT+DMFT without explaining any of the details.

  #. **Fock space and exact diagonalization** :download:`PDF <dmft_series/fock_zhengqian.pdf>`: 
     Zhengqian gave this tutorial. The general idea was to introduce the Fock space,
     second quantization, and exact diagonalization.

  #. **Zero temperature Green's function** :download:`PDF <dmft_series/zt_greenf_jia.pdf>`: 
     Jia gave this tutorial. The purpose was to introduce the singl-particle Green's function
     and its basic properties, including simple examples.

  #. **Finite temperature Green's function** :download:`PDF <dmft_series/ft_greenf_alex.pdf>`: 
     Alex gave this. The purpose was to introduce the finite temperature Green's function.

  #. **1-orbital Anderson impurity model**. Part I - Definition, Hartree-Fock solution, IPT, Gutzwiller.  

  #. **1-orbital Anderson impurity model**   :download:`PDF <dmft_series/ctqmc_eric.pdf>`: Part III - CTQMC. Eric presented this, and he actually does DMFT for the case of the Bethe lattice in infinite dimensions. He also gives some background for the 2-orbital model.

  #. **multi-orbital Anderson impurity model** - solvers to be decided.

  #. **DMFT I** - Bethe Lattice

  #. **DMFT II** - p-d model  

  #. **Effective action theory** (ie. deriving Dyson's equation and Kohn-Sham)

  #. **DFT+DMFT** - Theoretical considerations.

  #. **Analytic continuation** - The basic aspects of analytic continuation, including the maximum entropy method.