index.rst 1.41 KB
Newer Older
1
2
3
4
5
.. spex documentation master file, created by
   sphinx-quickstart on Sat Dec 15 17:35:56 2018.
   You can adapt this file completely to your liking, but it should at least
   contain the root `toctree` directive.

6
Spex Manual
7
8
================================

9
10
11
12
13
14
15
16
17
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.)
18
19
20

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

21
If you use Spex for your research, please cite the following work:
anoop chandran's avatar
anoop chandran committed
22

23
.. 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)*.
anoop chandran's avatar
anoop chandran committed
24

25
.. toctree::
26
   :maxdepth: 2
27
28
   :numbered:

29
30
31
   installation
   getting_started
   general_information
32
   common_keywords
33
34
   tutorials
   basis_sets
35
36
   parallelized_version
   spex_and_fleur
37
   spex_faq
38

39