## 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: | DCore; Wannier90; ABINIT; NonlinearSolve.jl; Julia; CONQUEST; DSQSS; GAMESS; hphi; LAMMPS; mVMC; Quantum Espresso; RESPACK; SALMON; TeNeS; cthyb; 2DMAT; CIF2Cell; FermiSurfer; Open Babel |

Cited in: | 0 Documents |