index.rst

.. spex documentation master file, created by
   sphinx-quickstart on Sat Dec 15 17:35:56 2018.
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Spex Manual
================================

Spex is a computer code based on many-body perturbation theory. 
It uses the all-electron full-potential linearized augmented plane-wave method (FLAPW), 
which provides an accurate basis set for all kinds of materials including transition metals, 
oxides, and even f-electron systems.

Currently Spex can calculate quasiparticle properties (one-shot and self-consistent) 
using the *GW* approximation, EELS and optical spectra as well as total energies 
in the RPA approximation, and spin-wave spectra from the Bethe-Salpeter equation. 
(TDDFT is implemented but unmaintained at the moment.)

It needs input from a converged DFT calculation, which can be generated by Fleur but also by any other FLAPW-DFT code.

If you use Spex for your research, please cite the following work:

.. highlights:: Christoph Friedrich, Stefan Blügel, Arno Schindlmayr, "Efficient implementation of the `GW` approximation within the all-electron FLAPW method", *Phys. Rev. B 81, 125102 (2010)*.

.. toctree::
   :maxdepth: 2
   :numbered:

   installation
   getting_started
   general_information
   common_keywords
   tutorials
   basis_sets
   parallelized_version
   spex_and_fleur
   spex_faq