EDIpack2 Fortran Module

EDIPACK2 is the top module of the EDIpack2 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 EDIpack2 as:

program test
    USE EDIPACK2
    ...

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_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_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()