Index

_

__init__() (triqs_dft_tools.converters.hk_converter.HkConverter method) (triqs_dft_tools.Symmetry method) (triqs_dft_tools.converters.wannier90_converter.Wannier90Converter method) (triqs_dft_tools.converters.wien2k_converter.Wien2kConverter method) (triqs_dft_tools.sumk_dft.SumkDFT method) (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) (triqs_dft_tools.trans_basis.TransBasis method)

__weakref__ (triqs_dft_tools.sumk_dft.SumkDFT attribute)

A

add_dc() (triqs_dft_tools.sumk_dft.SumkDFT method) analyse_block_structure() (triqs_dft_tools.sumk_dft.SumkDFT method)

analyse_block_structure_from_gf() (triqs_dft_tools.sumk_dft.SumkDFT method) analyse_deg_shells() (triqs_dft_tools.sumk_dft.SumkDFT method) approximate_as_diagonal() (triqs_dft_tools.block_structure.BlockStructure method)

B

BlockStructure (class in triqs_dft_tools.block_structure)

C

calc_dc() (triqs_dft_tools.sumk_dft.SumkDFT method) calc_dc_for_density() (triqs_dft_tools.sumk_dft.SumkDFT method) calc_density_correction() (triqs_dft_tools.sumk_dft.SumkDFT method) calc_mu() (triqs_dft_tools.sumk_dft.SumkDFT method) calculate_diagonalisation_matrix() (triqs_dft_tools.trans_basis.TransBasis method) cellvolume() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) check_projectors() (triqs_dft_tools.sumk_dft.SumkDFT method) check_vasp_data_consistency() (built-in function) conductivity_and_seebeck() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) convert_bands_input() (triqs_dft_tools.converters.wien2k_converter.Wien2kConverter method)

convert_dft_input() (triqs_dft_tools.converters.hk_converter.HkConverter method) (triqs_dft_tools.converters.wannier90_converter.Wannier90Converter method) (triqs_dft_tools.converters.wien2k_converter.Wien2kConverter method) convert_gf() (triqs_dft_tools.block_structure.BlockStructure method) convert_misc_input() (triqs_dft_tools.converters.wien2k_converter.Wien2kConverter method) convert_parproj_input() (triqs_dft_tools.converters.wien2k_converter.Wien2kConverter method) convert_symmetry_input() (triqs_dft_tools.converters.wien2k_converter.Wien2kConverter method) convert_transport_input() (triqs_dft_tools.converters.wien2k_converter.Wien2kConverter method) ConverterTools (class in triqs_dft_tools.converters.converter_tools) create_gf() (triqs_dft_tools.block_structure.BlockStructure method)

D

debug_density_matrix() (triqs_dft_tools.converters.plovasp.elstruct.ElectronicStructure method) density_matrix() (triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell method) (triqs_dft_tools.sumk_dft.SumkDFT method) density_of_states() (triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell method)

det_shell_equivalence() (triqs_dft_tools.converters.converter_tools.ConverterTools method) DFTTools dos_parproj_basis() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) dos_wannier_basis() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) downfold() (triqs_dft_tools.sumk_dft.SumkDFT method)

E

eff_atomic_levels() (triqs_dft_tools.sumk_dft.SumkDFT method) ElectronicStructure (class in triqs_dft_tools.converters.plovasp.elstruct)

extract_G_loc() (triqs_dft_tools.sumk_dft.SumkDFT method) extract_projectors() (triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell method) extract_tmatrices() (triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell method)

F

fermi_dis() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) find_rot_mat() (triqs_dft_tools.converters.wannier90_converter.Wannier90Converter method)

fourier_ham() (triqs_dft_tools.converters.wannier90_converter.Wannier90Converter method) full_structure() (triqs_dft_tools.block_structure.BlockStructure class method)

H

HkConverter (class in triqs_dft_tools.converters.hk_converter)

I

init_dc() (triqs_dft_tools.sumk_dft.SumkDFT method)

K

kmesh_build() (triqs_dft_tools.converters.wannier90_converter.Wannier90Converter method)

L

lattice_gf() (triqs_dft_tools.sumk_dft.SumkDFT method)

load() (triqs_dft_tools.sumk_dft.SumkDFT method) local_hamiltonian() (triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell method)

M

map_gf_struct_solver() (triqs_dft_tools.block_structure.BlockStructure method)

N

number_of_atoms() (triqs_dft_tools.sumk_dft.SumkDFT method)

P

partial_charges() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) pick_gf_struct_solver() (triqs_dft_tools.block_structure.BlockStructure method) pick_gf_struct_sumk() (triqs_dft_tools.block_structure.BlockStructure method)

print_hamiltonian() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) ProjectorShell (class in triqs_dft_tools.converters.plovasp.proj_shell) put_Sigma() (triqs_dft_tools.sumk_dft.SumkDFT method)

R

read_fortran_file() (triqs_dft_tools.converters.converter_tools.ConverterTools method) read_input_from_hdf() (triqs_dft_tools.sumk_dft.SumkDFT method) read_transport_input_from_hdf() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method)

read_wannier90hr() (triqs_dft_tools.converters.wannier90_converter.Wannier90Converter method) repack() (triqs_dft_tools.converters.converter_tools.ConverterTools method) rotate_gf() (triqs_dft_tools.trans_basis.TransBasis method) rotloc() (triqs_dft_tools.sumk_dft.SumkDFT method)

S

save() (triqs_dft_tools.sumk_dft.SumkDFT method) select_bands() (built-in function) select_projectors() (triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell method) set_dc() (triqs_dft_tools.sumk_dft.SumkDFT method) set_mu() (triqs_dft_tools.sumk_dft.SumkDFT method) sorts_of_atoms() (triqs_dft_tools.sumk_dft.SumkDFT method)

spaghettis() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) SumkDFT (class in triqs_dft_tools.sumk_dft) SumkDFTTools (class in triqs_dft_tools.sumk_dft_tools) symm_deg_gf() (triqs_dft_tools.sumk_dft.SumkDFT method) symmetrize() (triqs_dft_tools.Symmetry method) Symmetry (class in triqs_dft_tools)

T

total_density() (triqs_dft_tools.sumk_dft.SumkDFT method) TransBasis (class in triqs_dft_tools.trans_basis)

transport_coefficient() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) transport_distribution() (triqs_dft_tools.sumk_dft_tools.SumkDFTTools method) triqs_dft_tools (module), [1], [2]

U

upfold() (triqs_dft_tools.sumk_dft.SumkDFT method)

W

Wannier90Converter (class in triqs_dft_tools.converters.wannier90_converter)

Wien2kConverter (class in triqs_dft_tools.converters.wien2k_converter) write_trans_file() (triqs_dft_tools.trans_basis.TransBasis method)