mirror of https://github.com/abinit/abinit.git
37 lines
1.4 KiB
Markdown
37 lines
1.4 KiB
Markdown
---
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description: How to compute phonon bands, density of states, interatomic force constants, sound velocity ...
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authors: MT
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---
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<!--- This is the source file for this topics. Can be edited. -->
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This page gives hints on how to compute phonon bands, density of states, interatomic force constants, sound
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velocity ... with the ABINIT package.
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## Introduction
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The Fourier transformation of the phonon dynamical matrices generates
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interatomic force constants in real space, as explained in
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[[cite:Gonze1997a]]. Backtransforming to reciprocal space gives the Fourier
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interpolation of the initial phonon band structure. After such Fourier
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interpolation, the DOS can be produced (see [[cite:Lee1995]]), the phonon
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eigenenergies plotted along lines, the slope of the energy versus cristalline
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momentum evaluated (to give sound velocity).
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The two-phonon sum and difference spectra can also be obtained, see [[anaddb:dossum]].
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For the related computation of temperature-dependent properties, see [[topic:Temperature]].
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## Related Input Variables
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{{ related_variables }}
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## Selected Input Files
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{{ selected_input_files }}
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## Tutorials
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* [[tutorial:rf2|The tutorial Response-Function 2 (RF2)]] presents the analysis of the DDBs that have been introduced in the [[tutorial:rf1]]. The computation of the interatomic forces and the computation of thermodynamical properties is an outcome of this tutorial.
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