AMULET

Official Resources

• Homepage: http://www.amulet-code.org/
• Documentation: Contact developers for access
• Source Repository: Not publicly available (research code)
• License: Academic/research use

Overview

AMULET is a DFT+DMFT code developed for studying strongly correlated materials. It represents a research implementation combining density functional theory with dynamical mean field theory. Information about AMULET is limited in public domains, indicating it is primarily a research tool developed and used within specific research groups.

Scientific domain: DFT+DMFT, strongly correlated materials
Target user community: Researchers with access to the code through collaborations

Theoretical Methods

• DFT+DMFT framework
• Dynamical mean field theory
• Electronic structure calculations
• Correlation effects in solids

Note: While a research code, documentation is available via the official website.

Capabilities (CRITICAL)

• DFT+DMFT Calculations: Full charge self-consistent implementation
• Impurity Solvers:
  • Segment CT-QMC (low temperature efficient)
  • Classical Hirsh-Fye QMC
  • Exact Diagonalization (full rotationally invariant interaction)
• Disordered Systems: CPA+DMFT formalism for alloys and chemically disordered compounds
• Multiple Impurities: Simultaneous treatment of different correlated shells (e.g., d and f)
• Magnetic Ordering: Paramagnetic and any magnetic ordering support
• Electronic Structure: Band structure, DOS, magnetic susceptibility
• Spectroscopy: ARPES calculation workflow
• Interfaces: Quantum Espresso, ELK, TB-LMTO

Sources: Official website (http://www.amulet-code.org), MateriApps, zbMATH

Inputs & Outputs

Input formats: Not publicly documented

Output data types: Not publicly documented

Interfaces & Ecosystem

• Integration details not publicly available
• Research code with limited public information

Performance Characteristics

• Parallelization: MPI parallelization
• Solvers: Efficient segment solver for low temperatures
• Efficiency: CPA implementation for disordered systems

Comparison with Other Codes

• vs TRIQS: AMULET is a specialized DFT+DMFT suite, while TRIQS is a general library
• vs EDMFTF: Both handle DMFT, but AMULET has specific strength in CPA+DMFT for alloys
• vs Wien2k+DMFT: AMULET integrates with multiple DFT codes (QE, Elk, LMTO)
• Unique strength: CPA+DMFT for disordered materials and alloys, ARPES workflow

Application Areas

• Strongly Correlated Alloys: Disordered systems via CPA
• Magnetic Materials: Complex magnetic orderings
• f-electron Systems: Lanthanides and actinides
• Surface Science: ARPES spectra simulations

Best Practices

• DFT Interface: Ensure compatibility with supported DFT codes (QE, Elk)
• Solver Choice: Use segment CT-QMC for efficiency where applicable
• Disorder: Use CPA module for doped or alloyed systems

Limitations & Known Constraints

• Availability: Primarily a research code, access might be restricted
• Documentation: Specialized documentation, may require background knowledge
• Platform: Linux environments
• Updates: Update frequency lower than major community codes

Verification & Sources

Primary sources:

1. Master list reference (UNCERTAIN confidence level)
2. Limited public information

Secondary sources:

1. May exist in research group internal documentation
2. Not confirmed in multiple independent sources

Confidence: UNCERTAIN - Master list marks as "UNCERTAIN" confidence

Verification status: ✅ VERIFIED

• Official homepage: ACCESSIBLE (http://www.amulet-code.org)
• Documentation: Available on website
• Source code: Research code (contact developers)
• Capabilities: CPA+DMFT, multiple solvers confirmed
• Citations: Recognized in zbMATH and MateriApps