ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems

DOI10.1016/j.cpc.2019.07.003OpenAlexW2894861691WikidataQ127477988 ScholiaQ127477988MaRDI QIDQ2696541

Andrey Kutepov, Byungkyun Kang, Patrick Semon, Sangkook Choi, Gabriel Kotliar

Publication date: 14 April 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1810.01679

zbMATH Keywords

first principleselectronic structuredynamical mean-field theorycorrelated electron system

Mathematics Subject Classification ID

Quantum theory (81-XX) Statistical mechanics, structure of matter (82-XX)

Related Items (3)

ComDMFT ⋮ Accelerated impurity solver for DMFT and its diagrammatic extensions ⋮ DMFTwDFT: an open-source code combining dynamical mean field theory with various density functional theory packages

Uses Software

• Wannier90
• WIEN2k
• SIESTA
• ABINIT
• Quantum Espresso
• OpenMx
• iQIST
• BerkeleyGW
• TRIQS
• FLEUR
• Elk
• w2dynamics
• DCore
• Questaal
• AMULET

Cites Work

• \(i \operatorname{QIST}\): An open source continuous-time quantum Monte Carlo impurity solver toolkit
• Wannier90: A tool for obtaining maximally-localised Wannier functions
• Full-potential electronic structure method. Energy and force calculations with density functional and dynamical mean field theory
• Unconstrained energy functionals for electronic structure calculations
• Linearized self-consistent quasiparticle GW method: application to semiconductors and simple metals
• Validating the AMULET Microprocessors
• Unnamed Item

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