DCore: Integrated DMFT software for correlated electrons

Abstract

We present a new open-source program, DCore, that implements dynamical mean-field theory (DMFT). DCore features a user-friendly interface based on text and HDF5 files. It allows DMFT calculations of tight-binding models to be performed on predefined lattices as well as \textit{ab initio} models constructed by external density functional theory codes through the Wannier90 package. Furthermore, DCore provides interfaces to many advanced quantum impurity solvers such as quantum Monte Carlo and exact diagonalization solvers. This paper details the structure and usage of DCore and shows some applications.

33 pages in single column format. Based on DCore v3.0.0

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• Near room-temperature ferromagnetism from double-exchange in the van der Waals material CrGeTe${}_3$: evidence from optical conductivity under pressure
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• From localized 4f electrons to anisotropic exchange interactions in ferromagnetic CeRh6Ge4
• Hidden covalent insulator and spin excitations in SrRu${}_2$O${}_6$