DCore: Integrated DMFT software for correlated electrons

Hiroshi Shinaoka; Junya Otsuki; Mitsuaki Kawamura; Nayuta Takemori; Kazuyoshi Yoshimi

doi:10.21468/SCIPOSTPHYS.10.5.117

DCore: Integrated DMFT software for correlated electrons

Hiroshi Shinaoka, Junya Otsuki, Mitsuaki Kawamura, Nayuta Takemori, Kazuyoshi Yoshimi

Research output: Contribution to journal › Article › peer-review

5 Citations (Scopus)

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 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.

Original language	English
Article number	117
Journal	SciPost Physics
Volume	10
Issue number	5
DOIs	https://doi.org/10.21468/SCIPOSTPHYS.10.5.117
Publication status	Published - 2021

ASJC Scopus subject areas

Physics and Astronomy(all)

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10.21468/SCIPOSTPHYS.10.5.117

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title = "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 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.",

author = "Hiroshi Shinaoka and Junya Otsuki and Mitsuaki Kawamura and Nayuta Takemori and Kazuyoshi Yoshimi",

note = "Funding Information: Funding information H.S., J.O., and K.Y. were supported by JSPS KAKENHI Grant No. 18H01158, 21H01003, 21H01041. H.S. was supported by JSPS KAKENHI Grant No. 16K17735. J.O. was supported by JSPS KAKENHI Grant No. 18H04301 (J-Physics). N.T. was supported by JSPS KAKENHI Grant No. 19H05817, and 19H05820. K.Y. was supported by JSPS KAKENHI Grant No. 19K03649, and Building of Consortia for the Development of Human Resources in Science and Technology, MEXT, Japan. Publisher Copyright: {\textcopyright} The Author(s), 2021.",

year = "2021",

doi = "10.21468/SCIPOSTPHYS.10.5.117",

language = "English",

volume = "10",

journal = "SciPost Physics",

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T1 - DCore

T2 - Integrated DMFT software for correlated electrons

AU - Shinaoka, Hiroshi

AU - Otsuki, Junya

AU - Kawamura, Mitsuaki

AU - Takemori, Nayuta

AU - Yoshimi, Kazuyoshi

N1 - Funding Information: Funding information H.S., J.O., and K.Y. were supported by JSPS KAKENHI Grant No. 18H01158, 21H01003, 21H01041. H.S. was supported by JSPS KAKENHI Grant No. 16K17735. J.O. was supported by JSPS KAKENHI Grant No. 18H04301 (J-Physics). N.T. was supported by JSPS KAKENHI Grant No. 19H05817, and 19H05820. K.Y. was supported by JSPS KAKENHI Grant No. 19K03649, and Building of Consortia for the Development of Human Resources in Science and Technology, MEXT, Japan. Publisher Copyright: © The Author(s), 2021.

PY - 2021

Y1 - 2021

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AB - 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 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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DCore: Integrated DMFT software for correlated electrons

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