ABINIT

All

22 repositories

abipy
Public
Open-source library for analyzing the results produced by ABINIT
science physics density-functional-theory solid-state-physics materials-science materials-informatics abinit python
Python
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Other
•103•122•9•1•Updated Aug 2, 2025Aug 2, 2025
abinit_web
Public
All stuff related to the ABINIT web site: html pages, documents, figures (incl. pseudopotential) ...
GNU General Public License v3.0
•4•0•2•0•Updated Jul 11, 2025Jul 11, 2025
abinit
Public
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
fortran density-functional-theory ab-initio abinit dfpt kohn-sham mbpt
Fortran
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Other
•96•233•16•1•Updated Jul 6, 2025Jul 6, 2025
diamond_eph_gwpt
Public
This repository contains DFPT output files for diamond to be used for e-ph calculations.
Shell
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GNU General Public License v2.0
•1•0•0•0•Updated Jul 1, 2025Jul 1, 2025
abipy_book
Public
Jupyter Notebook
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MIT License
•4•1•0•0•Updated Jun 29, 2025Jun 29, 2025
abimkdocs_v8.8.4
Public
HTML
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GNU General Public License v3.0
•0•0•0•0•Updated Jun 27, 2025Jun 27, 2025
abimkdocs_v10.2.3
Public
HTML
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Other
•0•0•0•0•Updated Jun 24, 2025Jun 24, 2025
data_v-ZSISA-QHA
Public
Data for v-ZSISA-QHA, see Phys. Rev. B 110, 014103 (2024).
Python
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GNU Lesser General Public License v2.1
•3•0•0•1•Updated Jun 19, 2025Jun 19, 2025
LiF_eph_varpeq
Public
This repository contains DFPT output files for LiF to be used for e-ph calculations.
Shell
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GNU General Public License v2.0
•1•0•0•0•Updated May 28, 2025May 28, 2025
abinit-fallbacks
Public
Abinit Fallbacks is a package builder for the external dependencies of Abinit.
M4
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GNU General Public License v3.0
•1•0•0•0•Updated Mar 26, 2025Mar 26, 2025
homebrew-tap
Public
Homebrew tap for Abinit
Ruby
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GNU General Public License v3.0
•2•1•1•0•Updated Mar 19, 2025Mar 19, 2025
abinit_actions
Public
Repo with GitHub Actions for testing external repositories
0•0•0•0•Updated Mar 18, 2025Mar 18, 2025
abiconfig
Public
Configuration files to configure/compile Abinit
configuration clusters compilation abinit
Python
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Other
•16•8•0•0•Updated Mar 5, 2025Mar 5, 2025
abinit_assets
Public
3•0•0•0•Updated Jul 7, 2024Jul 7, 2024
paw_jth_datasets
Public
PAW atomic datasets in XML/UPF - JTH Table (F. Jollet, M. Torrent, N. Holzwarth)
Python
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GNU General Public License v3.0
•1•0•0•0•Updated Jul 2, 2024Jul 2, 2024
pseudo_dojo
Public
Python framework for generating and validating pseudo potentials
dft ab-initio paw pseudopotentials oncvpsp
HTML
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Other
•37•44•14•0•Updated Nov 8, 2023Nov 8, 2023
abitutorials
Public
Abinit tutorials based on AbiPy
python exercise tutorials density-functional-theory abinit abipy
Jupyter Notebook
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GNU General Public License v2.0
•15•18•1•0•Updated Mar 30, 2022Mar 30, 2022
agate
Public
Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface
dft simulation molecular-dynamics phonon abinit
C++
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GNU General Public License v3.0
•11•2•0•0•Updated Dec 29, 2021Dec 29, 2021
qAgate
Public
C++
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GNU General Public License v3.0
•10•2•0•0•Updated Aug 11, 2021Aug 11, 2021
MgB2_eph4isotc
Public
Python
•1•0•0•0•Updated Dec 29, 2020Dec 29, 2020
MgO_eph_zpr
Public
Precomputed files for the tutorial on ZPR and temperature-dependent band gaps
Python
•2•0•0•0•Updated Sep 22, 2020Sep 22, 2020
abipy_assets
Public
Assets for AbiPy documentation
1•0•0•0•Updated Aug 17, 2018Aug 17, 2018