Impurity observables interface

The global unique interface to the all the available procedures evaluating impurity observables and static correlations. The correct function is called according to the value of ed_mode.

Quick access

Routines:

observables_impurity(), local_energy_impurity()

Used modules

  • sf_constants

    • one()

    • xi()

    • zero

    • pi()

  • sf_timer

  • sf_iotools

  • sf_linalg

  • ed_input_vars: Contains all global input variables which can be set by the user through the input file. A specific preocedure ed_read_input() should be called to read the input file using parse_input_variable() procedure from SciFortran. All variables are automatically set to a default, looked for and updated by reading into the file and, sequentially looked for and updated from command line (std.input) using the notation variable_name=variable_value(s) (case independent).

  • ed_vars_global: Contains all variables, arrays and derived types instances shared throughout the code. Specifically, it contains definitions of the effective_bath, the gfmatrix and the sector data structures.

  • ed_io: Contains a set of routines that retrieve quantities such as Green’s functions, self-energies (see ed_greens_functions ) and observables (from ed_observables ) and pass them to the user, as well ass routines to read and store Green’s function and self-energies.

  • ed_eigenspace: A class implementing a data structure to efficiently store the low part of the Fock space spectrum, automatically spreading and retrieving the eigenstates among/from MPI threads.

  • ed_bath: Contains routines for setting, accessing, manipulating and clearing the bath of the Impurity problem.

  • ed_setup: Contains procedures to set up the Exact Diagonalization calculation, executing all internal consistency checks and allocation of the global memory.

  • ed_hamiltonian

  • ed_aux_funx: Hosts a number of auxiliary procedures required in different parts of the code. Specifically, it implements: creation/annihilation fermionic operators, binary decomposition of integer representation of Fock states and setup the local impurity Hamiltonian

  • ed_observables_normal: This module calculates a series of observables, and stores them in aptly named plain-text files. ed_mode = normal

  • ed_observables_superc

  • ed_observables_nonsu2: This module calculates a series of observables, and stores them in aptly named plain-text files. ed_mode = nonsu2

Subroutines and functions

subroutine  ed_observables/observables_impurity()

Calculate the local observables calling the correct procedure according to the value of ed_mode . Write the results on plain-text files.

subroutine  ed_observables/local_energy_impurity()

Calculate the local energy calling the correct procedure according to the value of ed_mode . Write the results on plain-text files.