EDIpack Fortran Module

EDIPACK is the top module of the EDIpack library. It provides access to the all the relevant procedures of the library, realizing the Fortran API. The user needs to invoke use of this module to get access to EDIpack as:

program test
    USE EDIPACK
    ...

The module also contains a subset of the global and input variables that can be accessed in the userspace.

Used modules

• ed_input_vars: User-accessible input variables

  • ed_read_input()

  • ed_update_input()

  • norb

  • nspin

  • nbath

  • nloop

  • nph

  • uloc

  • ust

  • jh

  • jx

  • jp

  • xmu

  • beta

  • g_ph

  • w0_ph

  • eps

  • wini

  • wfin

  • xmin

  • xmax

  • nsuccess

  • dmft_error

  • sb_field

  • cg_scheme

  • nread

  • lmats

  • lreal

  • ltau

  • lpos

  • hfile

  • hlocfile

  • logfile

  • ed_mode

  • ed_verbose

  • ed_read_umatrix

  • ed_use_kanamori

  • ed_sparse_h

  • ed_hw_bath

  • ed_input_file

  • lanc_nstates_total

  • bath_type

• ed_bath: Routines for bath creation and manipulation

  • ed_read_dmft_bath() ⇒ read_dmft_bath()

  • ed_get_g0and()

  • ed_get_delta()

  • ed_allocate_hreplica() ⇒ allocate_hreplica()

  • ed_deallocate_hreplica() ⇒ deallocate_hreplica()

  • ed_set_linit_hreplica() ⇒ set_linit_hreplica()

  • ed_set_hsym_hreplica() ⇒ set_hsym_hreplica()

  • ed_build_hreplica() ⇒ build_hreplica()

  • ed_print_hreplica() ⇒ print_hreplica()

  • ed_set_hreplica() ⇒ set_hreplica()

  • ed_set_hgeneral() ⇒ set_hgeneral()

  • ed_hreplica_mask() ⇒ hreplica_mask()

  • ed_hgeneral_mask() ⇒ hgeneral_mask()

  • ed_get_bath_dimension() ⇒ get_bath_dimension()

  • ed_spin_symmetrize_bath() ⇒ spin_symmetrize_bath()

  • ed_orb_symmetrize_bath() ⇒ orb_symmetrize_bath()

  • ed_orb_equality_bath() ⇒ orb_equality_bath()

  • ed_ph_symmetrize_bath() ⇒ ph_symmetrize_bath()

  • ed_ph_trans_bath() ⇒ ph_trans_bath()

  • ed_break_symmetry_bath() ⇒ break_symmetry_bath()

  • ed_enforce_normal_bath() ⇒ enforce_normal_bath()

  • ed_save_array_as_bath() ⇒ save_array_as_bath()

• ed_aux_funx: Assortment of auxiliary procedures required throughout the code

  • ed_set_hloc()

  • ed_set_suffix()

  • ed_reset_suffix()

  • ed_read_impgmatrix() ⇒ read_impgmatrix()

  • ed_read_impdmatrix() ⇒ read_impdmatrix()

  • ed_read_spinchimatrix() ⇒ read_spinchimatrix()

  • ed_read_denschimatrix() ⇒ read_denschimatrix()

  • ed_read_pairchimatrix() ⇒ read_pairchimatrix()

  • ed_read_exctchimatrix() ⇒ read_exctchimatrix()

  • ed_search_variable()

  • ed_search_chemical_potential() ⇒ search_chemical_potential()

• ed_io: Routines for response functions and variables input/output

  • ed_get_gimp()

  • ed_get_dimp()

  • ed_get_sigma()

  • ed_get_g0imp()

  • ed_get_spinchi()

  • ed_get_denschi()

  • ed_get_pairchi()

  • ed_get_exctchi()

  • ed_get_dens()

  • ed_get_phi()

  • ed_get_exct()

  • ed_get_mag()

  • ed_get_docc()

  • ed_get_eimp()

  • ed_get_epot()

  • ed_get_eint()

  • ed_get_ehartree()

  • ed_get_eknot()

  • ed_get_doubles()

  • ed_get_evals()

  • ed_get_imp_info()

  • ed_get_nsectors()

  • ed_get_neigen_sector()

  • ed_set_neigen_sector()

  • ed_get_impurity_rdm()

  • ed_get_sp_dm()

• ed_rdm: Routines for Reduced Density Matrix calculation

  • ed_get_reduced_rdm() ⇒ get_reduced_rdm()

• ed_parse_umatrix: Routines to parse files containing two-body operators

  • ed_add_twobody_operator() ⇒ add_twobody_operator()

  • ed_reset_umatrix() ⇒ reset_umatrix()

• ed_greens_functions: Routines for Green's functions calculation

  • ed_build_impg() ⇒ get_impg()

  • ed_build_impf() ⇒ get_impf()

  • ed_build_impd() ⇒ get_impd()

  • ed_build_sigma() ⇒ get_sigma()

  • ed_build_self() ⇒ get_self()

• ed_chi_functions: Routines for susceptibilities calculation

  • ed_build_spinchi() ⇒ get_spinchi()

  • ed_build_denschi() ⇒ get_denschi()

  • ed_build_pairchi() ⇒ get_pairchi()

  • ed_build_exctchi() ⇒ get_exctchi()

• ed_main: Routines to initialize, run and finalize the solver

  • ed_init_solver()

  • ed_solve()

  • ed_finalize_solver()

• ed_bath_fit: Routines for bath fitting

  • ed_chi2_fitgf()