DCore: Integrated DMFT software for correlated electrons
Hiroshi Shinaoka, Junya Otsuki, Mitsuaki Kawamura, Nayuta Takemori, Kazuyoshi Yoshimi
SciPost Phys. 10, 117 (2021) · published 27 May 2021
- doi: 10.21468/SciPostPhys.10.5.117
- Submissions/Reports
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.
Cited by 10
Authors / Affiliations: mappings to Contributors and Organizations
See all Organizations.- 1 Hiroshi Shinaoka,
- 2 Junya Otsuki,
- 3 Mitsuaki Kawamura,
- 2 Nayuta Takemori,
- 3 Kazuyoshi Yoshimi