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Dftk.jl ⭐ 382

Density-functional toolkit

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.

Simulation Package for Ab-initio Real-space Calculations

Matlab Simulation Package for Ab-initio Real-space Calculations

Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)

Openmx Hks ⭐ 5

A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files

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