triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell

class triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell(sh_pars, proj_compl, nc_flag)[source]

Container of projectors related to a complement shell.

Parameters:

  • sh_pars (dict) : shell parameters from the config-file

  • proj_compl (numpy.array) : array of complement projectors

Methods

density_matrix(el_struct[, site_diag, spin_diag])

Returns occupation matrix/matrices for the shell.

density_of_states(el_struct, emesh)

Returns projected DOS for the shell.

extract_projectors(proj_raw, proj_params, ...)

Extracts projectors for the given shell.

extract_tmatrices(sh_pars)

Extracts and interprets transformation matrices provided by the config-parser.

local_hamiltonian(el_struct[, site_diag, ...])

Returns occupation matrix/matrices for the shell.

select_projectors(ib_win, ib_min, ib_max)

Selects a subset of projectors corresponding to a given energy window.

Methods

__init__(sh_pars, proj_compl, nc_flag)

density_matrix(el_struct[, site_diag, spin_diag])

Returns occupation matrix/matrices for the shell.

density_of_states(el_struct, emesh)

Returns projected DOS for the shell.

extract_projectors(proj_raw, proj_params, ...)

Extracts projectors for the given shell.

extract_tmatrices(sh_pars)

Extracts and interprets transformation matrices provided by the config-parser.

local_hamiltonian(el_struct[, site_diag, ...])

Returns occupation matrix/matrices for the shell.

select_projectors(ib_win, ib_min, ib_max)

Selects a subset of projectors corresponding to a given energy window.