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triqs_dftkit

DFT converters for TRIQS, enabling DFT+DMFT calculations by converting output from various DFT codes to TRIQS-compatible HDF5 format.

Supported DFT Codes

Converter Description
Elk Elk all-electron DFT code
VASP Vienna Ab initio Simulation Package (includes PLOVasp tools)
Wien2k Wien2k LAPW code (includes dmftproj Fortran executable)
Wannier90 Wannier tight-binding models
Quantum Espresso QE plane-wave DFT code
H(k) General tight-binding Hamiltonians

Documentation

Documentation is available at https://triqs.github.io/dftkit

License

triqs_dftkit is released under the GNU General Public License v3.

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Toolkit connecting TRIQS to DFT codes

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