AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
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Updated
Jun 19, 2024 - Python
AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)
Post-processing toolkit for electronic structure calculations
Full-potential Korringa-Kohn-Rostoker Green function code JuKKR: All-electron DFT (repo mirror)
Tools for simplifying daily work with the AiiDA workflow engine
AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.
A FORTRAN module to write Numpy's *.npy and *.npz files
AiiDA plugin for the spirit code
Atomistic Spin Simulation Framework
Simple Tight-binding
OVF (OOMMF Vector Field file format) parser library with C API and language bindings
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