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
A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files
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)
Real-space grid Density Functional Theory for large systems
A tool to calculate and visualise molecular orbitals using RHF and DFT, written in MATLAB.
A suite of programs for reconstructing the exact Kohn-Sham potentials based on accurate densities.
Solves nonlinear Kohn-Sham equation for the neutral atom
Simulation Package for Ab-initio Real-space Calculations. To cite this Original Software Publication: https://www.sciencedirect.com/science/article/pii/S2352711021000546
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