4.5 Article

DCore: Integrated DMFT software for correlated electrons

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SCIPOST PHYSICS
卷 10, 期 5, 页码 -

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SCIPOST FOUNDATION
DOI: 10.21468/SciPostPhys.10.5.117

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资金

  1. JSPS KAKENHI [18H01158, 21H01003, 21H01041, 16K17735, 18H04301, 19H05817, 19H05820, 19K03649]
  2. Building of Consortia for the Development of Human Resources in Science and Technology, MEXT, Japan
  3. Grants-in-Aid for Scientific Research [21H01003, 19K03649, 19H05817, 19H05820, 18H04301] Funding Source: KAKEN

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DCore is an open-source program that implements DMFT and provides a user-friendly interface for calculations on different models, as well as interfaces with various quantum impurity solvers.
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. Copyright H. Shinaoka et al.

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