triqs_modest.module

Python Module for TRIQS Modular Electronic Structure Toolkit

Functions

Hloc

Function dispatched to the following (C++) functions.

U_matrix_in_spherical_basis

Function dispatched to the following (C++) functions.

analyze_degenerate_blocks

Function dispatched to the following (C++) functions.

dc_formulas

Function dispatched to the following (C++) functions.

density

Function dispatched to the following (C++) functions.

density_nk

Function dispatched to the following (C++) functions.

discover_symmetries

Function dispatched to the following (C++) functions.

double_counting

Function dispatched to the following (C++) functions.

find_chemical_potential

Function dispatched to the following (C++) functions.

fold

Function dispatched to the following (C++) functions.

gloc

Function dispatched to the following (C++) functions.

h5_read

Function dispatched to the following (C++) functions.

h5_write

Function dispatched to the following (C++) functions.

hybridization

Function dispatched to the following (C++) functions.

impurity_levels

Function dispatched to the following (C++) functions.

make_density_density

Function dispatched to the following (C++) functions.

make_embedding

Function dispatched to the following (C++) functions.

make_embedding_impl

Function dispatched to the following (C++) functions.

make_embedding_with_clusters

Function dispatched to the following (C++) functions.

make_kanamori

Function dispatched to the following (C++) functions.

make_slater

Function dispatched to the following (C++) functions.

one_body_elements_from_dft_converter

Function dispatched to the following (C++) functions.

one_body_elements_from_wannier90

Function dispatched to the following (C++) functions.

one_body_elements_on_high_symmetry_path

Function dispatched to the following (C++) functions.

one_body_elements_with_theta_projectors

Function dispatched to the following (C++) functions.

permute_local_space

Function dispatched to the following (C++) functions.

projected_spectral_function

Function dispatched to the following (C++) functions.

root_finder

Function dispatched to the following (C++) functions.

sigma_to_data_idx

Function dispatched to the following (C++) functions.

spectral_function_on_high_symmetry_path

Function dispatched to the following (C++) functions.

symmetrize_gf

Function dispatched to the following (C++) functions.

Classes

AtomicOrbs

Info on an atomic shell

BandDispersion

  • spin_kind: triqs::modest::spin_kind_e

BzIntOptions

  • tolerance: double = 1.e-3

DMFTCheckpoint

name = DMFTCheckpoint

DcSolver

DownfoldingProjector

  • spin_kind: triqs::modest::spin_kind_e

Embedding

ImpBlockT

struct of tuples imp_idx, γ, τ

InitialData

  • obe: triqs::modest::one_body_elements_on_grid

IterationData

  • mu: double

LocalSpace

space.

OneBodyElementsOnGrid

  • H: triqs::modest::band_dispersion

OneBodyElementsTb

  • C_space: triqs::modest::local_space

SpectralFunctionKw

  • data: nda::array<double,3>

SpectralFunctionW

  • total: nda::array<double,2>

Superlattice

TbHamiltonian