DFT + embedded DMFT Functional^*

Developed by Kristjan Haule at Rutgers University, ©Copyright 2007-2024.

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Old Python 2.7 version for compatibility.

• What is DFT+embedded DMFT Functional
• Release notes for old users
• Installation
• Overview
• Tutorial on CTQMC impurity solver
• Tutorial 1 on MnO
• Tutorial 2 on FeSe: structural optimization, and spectral function plot
• Tutorial 3 on SrVO₃
• Tutorial 4 on LaVO₃: local axis and orbital optimization
• Tutorial 5 on elemental Cerium : f orbitals
• Tutorial 6 on Sr₂IrO₄ : local axis, spin-orbit, magnetic moments and their transformation from local to global axis
• Tutorial 7 on Ta₂NiSe₅: irreducible representations, Fermi surface, non-local Hartree-Fock, and optical conductivity.
• Tutorial 8 on phonons: FeSe phonons with eDMFT
• Tutorial 9 on cif2indmf: automatic input generation
• FAQ

Financial support by NSF DMR-1709229 and DOE (DE-FOA-0001276) and Simons Foundation