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DFTTools

swMATH ID: 43494
Software Authors: Aichhorn M., Pourovskii L., Seth P., Vildosola V., Zingl M., Peil O.E., et al.
Description: DFTTools: This TRIQS-based-based application is aimed at ab-initio calculations for correlated materials, combining realistic DFT band-structure calculations with the dynamical mean-field theory. Together with the necessary tools to perform the DMFT self-consistency loop for realistic multi-band problems. The package provides a full-fledged charge self-consistent interface to the Wien2K package, and VASP package. In addition, it provides a generic interface for one-shot DFT+DMFT calculations, where only the single-particle Hamiltonian in orbital space has to be provided. The Hamiltonian can be generated from the above mentioned DFT codes, wannier90 output files, or with the built-in generic H(k) converter.
Homepage: https://triqs.github.io/dft_tools/latest/
Source Code:  https://github.com/triqs/dft_tools
Dependencies: Python
Related Software: Spack; Quantum Mobile; VirtualBox; CONQUEST; DCore; DSQSS; GAMESS; hphi; LAMMPS; mVMC; Quantum Espresso; RESPACK; SALMON; TeNeS; cthyb; Wannier90; 2DMAT; CIF2Cell; FermiSurfer; Open Babel
Cited in: 0 Publications