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| description | authors |
|---|---|
| How to set parameters for a calculation with a positron in the system. | MT |
This page gives hints on how to set parameters for a calculation with a positron in the system with the ABINIT package.
Introduction
The lifetime of a positron, its annihilation rate and other associated properties can be computed, using the self-consistent two-component DFT formalism, including force and stress computation (and thus relaxation), LDA and GGA, wirhin norm-conserving pseudopotentials as well as PAW approach cite:Wiktor2015.
Doppler broadening can also be computed. The details of the way to perform such calculations are given in the description of the positron input variable, as well as in [[tutorial:positron|the tutorial on electron-positron annihilation]].
Examples can be found in cite:Wiktor2013, cite:Wiktor2014, cite:Wiktor2014a and cite:Wiktor2014b.
Related Input Variables
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Selected Input Files
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