File: _ElecBandStructure.md

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---
description: How to generate the electronic band structure related topics
authors: XG
---
<!--- This is the source file for this topics. Can be edited. -->

This page gives hints on how to generate the electronic band structure related topics with the ABINIT package.

## Introduction

The eigenenergies along a set of segments can be computed 
(non-self-consistent calculations with [[iscf]] = -2) using a negative value of [[kptopt]], with
[[kptbounds]] defining the end points of the segments, and [[ndivsm]] (or [[ndivk]]) defining the sampling. 
Choice of output unit in the main output file  is governed by [[enunit]].

A band structure can even be represented using weights proportional to the
orbital content (so-called "Fat Bands"), in case of PAW calculation, see
[[pawfatbnd]], and related variables.

Different interpolation schemes for the band energies can be defined thanks to [[einterp]]. 
The Wannier interpolation is also available through the use of
the [[tutorial:wannier90]] post-processor.

The band structure from a supercell calculation can be unfolded to the (large)
Brillouin zone of the (small) primitive cell thanks to the [[help:fold2bloch]]
post-processor. See the related [[topic:Unfolding]].

Different plotting postprocessors exist to produce graphical representations
of electronic band structures from ABINIT. 
The most powerful is based on [[topic:Abipy]] that provides several tools
to analyze band structures (more info available in the |GsrFileNb|).

Simpler tools also exist, and can be found in
~abinit/scripts/post_processing, e.g. AbinitBandStructureMaker.py,
plot_bandstructure.py or abinit_eignc_to_bandstructure.py.


## Related Input Variables

{{ related_variables }}

## Selected Input Files

{{ selected_input_files }}