JuDFTteam

Here you find a collection of public repositories and prominent tools from juDFT. Useful for material science, condensed matter physics, DFT, Ab-initio methods

aiida-fleur Public
Package containing the AiiDA-FLEUR plugin(s) and some workflows for the FLEUR program (www.flapw.de) implementing DFT methods. This is a JuDFT effort see (www.judft.de).

Python 11 7 30 5 Updated Oct 21, 2022
aiida-kkr Public
Code containing the AiiDA-KKR plugins and some workflows for the juDFT KKR codes.

Python 11 MIT 9 27 (1 issue needs help) 2 Updated Oct 20, 2022
FLEUR Public
Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT

Fortran 3 MIT 1 0 0 Updated Oct 19, 2022
masci-tools Public
Tools, utility, parsers useful in daily material science work

Python 17 MIT 10 11 7 Updated Oct 17, 2022
pymatgen-io-fleur Public
Pymatgen (https://pymatgen.org/) IO plugin for the LAPW code FLEUR (www.flapw.de)

Python 3 MIT 0 0 1 Updated Oct 3, 2022
ase-fleur Public
Package adding IO/calculator functionalities for the FLEUR code to the ase package.

Python 0 MIT 0 0 1 Updated Oct 3, 2022
aiida-spirit Public
AiiDA plugin for the spirit code

JavaScript 4 MIT 2 3 0 Updated Sep 26, 2022
aiida-jutools Public
Utilities that are commonly used by the aiida plugins developed at FZ Jülich

Python 4 MIT 6 6 3 Updated Sep 23, 2022
JuKKR Public
Mirror of JuKKR code repository

Fortran 2 1 0 0 Updated Sep 12, 2022
aiida-spex Public
Package containing the AiiDA-SPEX plugin(s) and some workflows for the SPEX program (https://spex.readthedocs.io). This is a JuDFT effort see (www.judft.de)

Python 1 MIT 1 0 0 Updated Jul 28, 2022

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