Density-functional toolkit
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Updated
Jul 15, 2024 - Julia
Density-functional toolkit
Julia bindings to the libxc library for exchange-correlation functionals
Plane wave density functional theory using Julia programming language
Support for reading and using pseudopotentials in Julia
Core Library of the Zen Computation Framework
Electronic structure calculations using Julia
Auxiliary Tools for the Zen Computation Framework
ASE-compatible calculator for DFTK
Hartree units and DFT quantities for easy multi-dispatch
Atomic crystal structures for Julia
Orbital free density functional theory. Ain't no Kohn-Sham orbitals here.
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