Our LDA+DMFT Quantum Montecarlo solvers

We have developed along the years a massively parallel multi-solver package for LDA+DMFT based on various flavors of quantum Montecarlo solvers. Our codes are currently only available via direct collaboration. Details on the (main) current codes capabilities can be found below. Our codes are interfaced to the Stuttgart NMTO-47 code and the WIEN2K code.

Contact: e.pavarini@fz-juelich.de

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HF-QMC code

Hamiltonian of any symmetry

any crystal-field matrix

self-energy of any symmetry

CDMFT

density-density Coulomb interaction

local and non-local Coulomb interaction

Hartree-Fock

total energy

correlation functions and susceptibilities

optical conductivity

Fermi surface

CT-HYB QMC code

Hamiltonian of any symmetry

any crystal-field matrix

spin-orbit interaction

general Krylov scheme

fast segment scheme when usable

self-energy of any symmetry

general Coulomb interaction Umm'm''m''

correlation functions and susceptibilities

optical conductivity

Fermi surface

total energy

CT-INT QMC code

Hamiltonian of any symmetry

any crystal-field matrix

spin-orbit interaction

self-energy of any symmetry

general Coulomb interaction Umm'm''m''

CDMFT

optical conductivity

Fermi surface