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arXiv · 2007.00901

DCore: Integrated DMFT software for correlated electrons

Hiroshi Shinaoka·Junya Otsuki·Mitsuaki Kawamura·Nayuta Takemori·Kazuyoshi Yoshimi
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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.

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Hiroshi Shinaoka, Junya Otsuki, Mitsuaki Kawamura, Nayuta Takemori, Kazuyoshi Yoshimi. 2020-07-02. DCore: Integrated DMFT software for correlated electrons. https://doi.org/10.21468/scipostphys.10.5.117

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