Rutgers-DMFT

Official Resources

• Homepage: https://github.com/HauleGroup/CODES
• Documentation: https://hauleweb.rutgers.edu/
• Source Repository: https://github.com/HauleGroup/CODES
• License: See repository for licensing details

Overview

Rutgers-DMFT refers to the collection of DMFT codes developed by Kristjan Haule's group at Rutgers University, including EDMFTF and related impurity solvers. The repository contains various tools for DFT+DMFT calculations, continuous-time quantum Monte Carlo solvers, and analysis utilities developed and maintained by one of the leading DMFT research groups worldwide.

Scientific domain: DFT+DMFT, strongly correlated materials, quantum impurity solvers
Target user community: Researchers performing advanced DFT+DMFT calculations on correlated materials

Theoretical Methods

• DFT+DMFT (charge self-consistent)
• Continuous-time quantum Monte Carlo (CT-HYB, CT-QMC)
• Exact diagonalization
• Non-crossing approximation (NCA)
• Rotationally invariant master equation approach
• Anderson impurity model solvers
• Various computational methodologies from Haule group

Capabilities (CRITICAL)

• Multiple impurity solver implementations
• DFT+DMFT workflows (EDMFTF)
• Advanced CTQMC solvers
• Analysis and post-processing tools
• Wien2k interface
• Wannier function tools
• Spectral function calculations
• Research-grade implementations
• Methods from cutting-edge DMFT research

Sources: Haule group repository (https://github.com/HauleGroup/CODES), Rutgers Physics, confirmed in 6/7 source lists

Inputs & Outputs

Input formats:

• DFT outputs (primarily Wien2k)
• Wannier projections
• Impurity model parameters
• DMFT configuration files

Output data types:

• Self-energies
• Green's functions
• Spectral functions
• Observables
• Convergence data

Interfaces & Ecosystem

• EDMFTF: Primary DFT+DMFT framework
• Wien2k: Main DFT backend
• Impurity solvers: Multiple solver implementations
• Rutgers Physics: Leading DMFT research group
• Haule group: Kristjan Haule's research codes

Limitations & Known Constraints

• Primarily research codes
• Documentation may be limited
• Requires expertise in DMFT methodology
• Installation and setup complex
• Some codes specific to Wien2k
• Platform: Linux/Unix
• Academic/research use focus

Comparison with Other Codes

Verification & Sources

Primary sources:

1. GitHub repository: https://github.com/HauleGroup/CODES
2. Haule group website: https://hauleweb.rutgers.edu/
3. Rutgers University Physics Department
4. EDMFTF documentation and papers

Secondary sources:

1. Haule group publications (>100 papers on DMFT)
2. EDMFTF users and tutorials
3. Rutgers strongly correlated materials research
4. Confirmed in 6/7 source lists (claude, g, gr, k, m, q)

Confidence: VERIFIED - Appears in 6 of 7 independent source lists

Verification status: ✅ VERIFIED

• Official repository: ACCESSIBLE (GitHub)
• Group website: ACCESSIBLE
• Source code: OPEN
• Developer: Kristjan Haule (leading DMFT expert)
• Research-grade codes
• Foundation for many DMFT developments