EDIpack2ineq Fortran Module

EDIPACK2INEQ is the top module of the EDIpack2ineq library. It provides access to all the functions extending EDIpack2 to the case of inequivalent sites, realizing an addition to the Fortran API.

The user needs to invoke use of this module alongside the original library one, as:

program test
  USE EDIPACK2
  USE EDIPACK2INEQ
  ...

Used modules

• edipack2: EDIpack2.0 library frontend

• e2i_aux_funx: Assortment of auxiliary procedures, inequivalent sites version

  • ed_set_hloc()

• e2i_bath: Bath module: real-space DMFT extension

  • ed_set_hreplica() ⇒ set_hreplica()

  • ed_set_hgeneral() ⇒ set_hgeneral()

  • 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()

• e2i_io: Retrieve observables and response functions, inequivalent sites version

  • 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_mag()

  • ed_get_docc()

  • ed_get_eimp()

  • ed_get_epot()

  • ed_get_eint()

  • ed_get_ehartree()

  • ed_get_eknot()

  • ed_get_doubles()

• e2i_main: Main solver routines, inequivalent sites version

  • ed_init_solver()

  • ed_solve()

  • ed_finalize_solver()

• e2i_bath_fit: Bath fitting routines: real-space DMFT extension

  • ed_chi2_fitgf()