triqs_dftkit

triqs_dftkit: DFT Converters for TRIQS

This package provides converters from various DFT codes to the HDF5 format used by TRIQS for DFT+DMFT calculations.

Available submodules: - elk: Elk converter - hk: General H(k) converter - qe: Quantum Espresso converter - vasp: VASP converter - wannier90: Wannier90 converter - wien2k: Wien2k converter

Each submodule provides a Converter class that can be imported as:

from triqs_dftkit.vasp import Converter

Modules

abinit
converter_tools	Converter helper module
elk	Elk converter for DFT+DMFT calculations
hk	General H(k) converter for DFT+DMFT calculations
qe	Quantum Espresso converter for DFT+DMFT calculations
vasp	VASP converter for DFT+DMFT calculations
version
wannier90	Wannier90 converter for DFT+DMFT calculations
wien2k	Wien2k converter for DFT+DMFT calculations