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added code for elph+transport+ab initio engines categories: EPW, Pert…
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…urbo, EPIq, Phoebe, elphbolt.
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mikibonacci committed Feb 14, 2024
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Expand Up @@ -201,7 +201,7 @@ GPAW:
- ab-initio_engines
metadata:
description: |
GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE).
GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE).
title: GPAW
homepage_url: https://wiki.fysik.dtu.dk/gpaw/
documentation_url: https://wiki.fysik.dtu.dk/gpaw/documentation/documentation.html
Expand Down Expand Up @@ -237,10 +237,78 @@ elk:
- ab-initio_engines
metadata:
description: |
An all-electron full-potential linearised augmented-plane wave (LAPW) code with many advanced features
An all-electron full-potential linearised augmented-plane wave (LAPW) code with many advanced features
title: Elk
homepage_url: https://elk.sourceforge.io
documentation_url: https://elk.sourceforge.io/#documentation
sourcecode_url: https://elk.sourceforge.io/#download
logo: https://scc.dipc.org/docs/software/applications/elk/images/elk-logo.jpeg

EPW:
categories:
- elph
- transport
- ab-initio_engines
metadata:
description: |
EPW is an open-source community code for ab initio calculations of electron-phonon interactions using Density-Functional Perturbation Theory and Maximally Localized Wannier Functions.
title: EPW
homepage_url: https://epw-code.org
documentation_url: https://docs.epw-code.org/doc/Documentation.html
sourcecode_url: https://gitlab.com/QEF/q-e/-/tree/develop/EPW
logo: https://epw-code.org/assets/img/epw_logo.png

Perturbo:
categories:
- elph
- transport
- ab-initio_engines
metadata:
description: |
PERTURBO is open source software to compute from first principles the scattering processes between charge carriers (electrons and holes) and phonons, defects, and photons in solid state materials, including metals, semiconductors, oxides, and insulators.
title: Perturbo
homepage_url: https://perturbo-code.github.io
documentation_url: https://perturbo-code.github.io
logo: https://perturbo-code.github.io/images/PERTURBO_logo_site.svg

EPIq:
categories:
- elph
- transport
- ab-initio_engines
metadata:
description: |
EPIq is an open-source software for the calculation of electron-phonon coupling related properties.
title: EPIq
homepage_url: https://the-epiq-team.gitlab.io/epiq-site
documentation_url: https://the-epiq-team.gitlab.io/epiq-site
sourcecode_url: https://gitlab.com/the-epiq-team/epiq
logo: https://the-epiq-team.gitlab.io/epiq-site/assets/images/logo_black_200.png

Phoebe:
categories:
- elph
- transport
- ab-initio_engines
metadata:
description: |
Phoebe is an open-source code for the ab-initio computation of electron and phonon transport properties of crystalline materials.
title: Phoebe
homepage_url: https://mir-group.github.io/phoebe/index
documentation_url: https://mir-group.github.io/phoebe/index
sourcecode_url: https://github.com/mir-group/phoebe
logo: https://github.com/mir-group/phoebe/blob/develop/doc/sphinx/source/_static/icon.png?raw=true

elphbolt:
categories:
- elph
- transport
- ab-initio_engines
metadata:
description: |
elphbolt (short for electron-phonon Boltzmann transport) is a modern Fortran (2018 standard) suite of transport codes. It provides a solver for both the coupled and decoupled electron and phonon Boltzmann transport equations (BTEs)
title: elphbolt
homepage_url: https://github.com/nakib/elphbolt
documentation_url: https://github.com/nakib/elphbolt
sourcecode_url: https://github.com/nakib/elphbolt
logo: https://github.com/nakib/elphbolt/raw/develop/logo/logo.png

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