dftkit - DFT converters for TRIQS

dftkit is an official TRIQS application that provides converters turning the output of various DFT codes into the TRIQS-compatible HDF5 format required for DFT+DMFT calculations. Supported codes include Elk, VASP (with the PLOVasp projection tools), Wien2k (with the dmftproj executable), Quantum Espresso, Wannier90 and generic tight-binding Hamiltonians. It provides a modern, modular successor to the converters historically shipped with DFTTools.

Learn how to use dftkit in the Documentation.

_images/logo_cea.png _images/logo_x.png _images/logo_cnrs.png _images/logo_erc.jpg _images/logo_flatiron.png _images/logo_simons.jpg