triqs_modest

ModEST: Modular Electronic Structure Toolkit.

The Modular Electronic Structure Toolkit (ModEST) provides the necessary tooling to perform DMFT-type calculations in the context of electronic structure including density-functional theory (DFT) and many-body perturbation theory (MBPT).

Modularity is achieved through four key abstractions

one-body elements,
embedding,
k-summation

These abstractions let you describe complex DMFT problems – from simple single-site DMFT to multi-impurity, spin-orbit, or cluster DMFT –in a clean and modular way.

Modules

`triqs_modest.atomic_levels_and_delta`	Impurity levels and hybridization function.
`triqs_modest.embedding`	The embedding abstraction in ModEST.
`triqs_modest.hamiltonians`	Functions and utilities to construct interaction Hamiltonians using TRIQS many-body operators.
`triqs_modest.local_gf`	Local Green's functions.
`triqs_modest.misc`	Other tools for triqs_modest.
`triqs_modest.obe`	The one-body elements abstraction in ModEST.
`triqs_modest.post_processing`	Methods to compute spectral functions.
`triqs_modest.rho_and_mu`	Functions to calculate the total electron density of lattice Green's functions using different methods and methods for chemical potenital searching given a target density.
`triqs_modest.utils`	Extra tools that make life easier.
`triqs_modest.version`