├── .devcontainer_shinaoka ├── Dockerfile └── devcontainer.json ├── .devcontainer_shinaoka2 ├── Dockerfile └── devcontainer.json ├── .gitattributes ├── .github └── workflows │ ├── ci.yml │ ├── ci_dcorelib.yml │ ├── deploy_docs.yml │ ├── examples.yml │ ├── examples_dcorelib.yml │ └── wheel.yml ├── .github_scripts ├── entrypoint-examples.sh ├── entrypoint.sh └── env-examples.sh ├── .gitignore ├── COPYING ├── Dockerfile-examples ├── Dockerfile-pytest ├── LICENSE ├── MANIFEST.in ├── README.md ├── bin └── deploy_examples.sh ├── doc ├── _static │ ├── .gitignore │ ├── dcore.css │ ├── logo.html │ ├── logo_dcore1.png │ └── yoshimi10_2.png ├── _templates │ └── sideb.html ├── about.rst ├── analytic_continuation.rst ├── analytic_continuation │ ├── external_code.rst │ ├── pade.ini │ ├── pade.png │ ├── pade.rst │ ├── spm.ini │ ├── spm.png │ └── spm.rst ├── basicnotions │ ├── images │ │ ├── structure.png │ │ ├── structure.svg │ │ ├── structure_post.png │ │ └── structure_post.svg │ └── structure.rst ├── conf.py ├── impuritysolvers.rst ├── impuritysolvers │ ├── alpscore_cthyb │ │ └── cthyb.rst │ ├── alpscore_ctseg │ │ └── ctseg.rst │ ├── how_to_integrate.rst │ ├── jo_cthyb │ │ └── jo_cthyb.rst │ ├── null.rst │ ├── pomerol │ │ ├── dmft_square_pomerol.ini │ │ ├── pomerol.rst │ │ └── renorm.png │ ├── scipy │ │ └── scipy.rst │ ├── triqs_cthyb │ │ ├── QMCparam.png │ │ ├── cthyb.rst │ │ ├── legendre.png │ │ ├── legendre_sigma.png │ │ ├── tailfit.png │ │ └── tailfit.svg │ └── triqs_hubbard_one │ │ └── hubbard_one.rst ├── index.rst ├── install.rst ├── presentation.rst ├── reference.rst ├── reference │ ├── dcore_out.txt │ ├── dcore_pre.txt │ ├── gf_format.rst │ ├── input.rst │ ├── interaction.rst │ ├── iter_mu.png │ ├── iter_sigma-ish0.png │ ├── lattice.rst │ ├── local_potential.rst │ ├── model.png │ ├── model.svg │ ├── output.rst │ ├── programs.rst │ ├── sigma_ave.png │ └── slater_basis.rst ├── spelling_wordlist.txt ├── support.rst ├── support │ ├── faqs.rst │ ├── issues.rst │ └── plotting_spaghettis.py ├── todolist.rst ├── tools.rst ├── tools │ └── akw_converter │ │ ├── akw.rst │ │ ├── dmft_square_akw.ini │ │ ├── vesta_2d_data_display.png │ │ └── vesta_slice.png ├── tutorial.rst ├── tutorial │ ├── afm.bak │ │ ├── afm.rst │ │ ├── check │ │ │ ├── iter_sigma-ish0.png │ │ │ └── iter_sigma-ish1.png │ │ ├── cubic.ini │ │ ├── mk_hr.py │ │ └── mk_init_se.py │ ├── afm │ │ ├── afm.rst │ │ ├── afm_dim2_hr.dat │ │ ├── check │ │ │ ├── iter_mu.dat │ │ │ ├── iter_mu.pdf │ │ │ ├── iter_mu.png │ │ │ ├── iter_occup-ish0.dat │ │ │ ├── iter_occup-ish0.pdf │ │ │ ├── iter_occup-ish0.png │ │ │ ├── iter_occup-ish1.dat │ │ │ ├── iter_occup-ish1.pdf │ │ │ ├── iter_occup-ish1.png │ │ │ ├── iter_sigma-ish0.dat │ │ │ ├── iter_sigma-ish0.pdf │ │ │ ├── iter_sigma-ish0.png │ │ │ ├── iter_sigma-ish1.dat │ │ │ ├── iter_sigma-ish1.pdf │ │ │ ├── iter_sigma-ish1.png │ │ │ ├── iter_spin-ish0.dat │ │ │ ├── iter_spin-ish0.pdf │ │ │ ├── iter_spin-ish0.png │ │ │ ├── iter_spin-ish1.dat │ │ │ ├── iter_spin-ish1.pdf │ │ │ ├── iter_spin-ish1.png │ │ │ ├── sigma.dat │ │ │ ├── sigma_ave.pdf │ │ │ ├── sigma_ave.png │ │ │ ├── sigma_im.eps │ │ │ └── sigma_re.eps │ │ ├── init_se_down.txt │ │ ├── init_se_up.txt │ │ ├── mk_hr_2.py │ │ ├── mk_init_se.py │ │ └── square_afm.ini │ ├── bethe-t2g │ │ ├── bethe.rst │ │ ├── check │ │ │ ├── iter_mu.dat │ │ │ ├── iter_mu.png │ │ │ ├── iter_sigma-ish0.png │ │ │ ├── iter_sigma.dat │ │ │ ├── sigma.dat │ │ │ └── sigma_ave.png │ │ ├── dmft_bethe.ini │ │ ├── plot.plt │ │ ├── sigma-PRL101-166405.txt │ │ ├── sigma.png │ │ ├── sigma.svg │ │ └── triqs_cthyb │ │ │ └── dmft_bethe.ini │ ├── spin_orbit │ │ └── spin_orbit.rst │ ├── square.bak │ │ ├── akw.png │ │ ├── akw_ctseg.png │ │ ├── check │ │ │ ├── iter_mu.dat │ │ │ ├── iter_mu.png │ │ │ ├── iter_sigma-ish0.png │ │ │ ├── iter_sigma.dat │ │ │ ├── sigma.dat │ │ │ └── sigma_ave.png │ │ ├── convergence.png │ │ ├── dmft_square.ini │ │ ├── dmft_square_ctseg.ini │ │ ├── dos.gp │ │ ├── dos.png │ │ ├── square.rst │ │ ├── square_akw.dat │ │ ├── square_akw.gp │ │ └── square_akw0.dat │ ├── square │ │ ├── akw_ctseg.png │ │ ├── ctseg │ │ │ └── post │ │ │ │ ├── akw.dat │ │ │ │ ├── akw.gp │ │ │ │ ├── akw.png │ │ │ │ ├── dos.dat │ │ │ │ ├── momdist.dat │ │ │ │ └── sigma_w.dat │ │ ├── dmft_square_ctseg.ini │ │ ├── dmft_square_pomerol.ini │ │ ├── pomerol │ │ │ ├── check │ │ │ │ ├── iter_charge-ish0.dat │ │ │ │ ├── iter_charge-ish0.png │ │ │ │ ├── iter_mu.dat │ │ │ │ ├── iter_mu.png │ │ │ │ ├── iter_occup-ish0.dat │ │ │ │ ├── iter_occup-ish0.png │ │ │ │ ├── iter_sigma-ish0.dat │ │ │ │ ├── iter_sigma-ish0.png │ │ │ │ ├── iter_spin-ish0.dat │ │ │ │ ├── iter_spin-ish0.png │ │ │ │ ├── sigma.dat │ │ │ │ └── sigma_ave.png │ │ │ └── post │ │ │ │ ├── akw.dat │ │ │ │ ├── akw.gp │ │ │ │ ├── akw.png │ │ │ │ ├── dos.dat │ │ │ │ ├── dos.plt │ │ │ │ ├── dos.png │ │ │ │ ├── momdist.dat │ │ │ │ └── sigma_w.dat │ │ └── square.rst │ ├── srvo3 │ │ ├── akw_srvo3.png │ │ ├── openmx │ │ │ ├── akw_srvo3.png │ │ │ ├── openmx.rst │ │ │ ├── scf.dat │ │ │ └── srvo3_openmx.ini │ │ ├── qe │ │ │ ├── band_srvo3.in │ │ │ ├── band_srvo3.png │ │ │ ├── bands_srvo3.in │ │ │ ├── nscf_srvo3.in │ │ │ ├── pw2wan_srvo3.in │ │ │ ├── qe.rst │ │ │ ├── scf_srvo3.in │ │ │ ├── srvo3.win │ │ │ └── srvo3_hr.dat │ │ ├── srvo3.ini │ │ ├── srvo3.rst │ │ ├── srvo3_triqs_cthyb.ini │ │ └── struct_srvo3.png │ ├── srvo3_openmx │ │ ├── akw_srvo3.png │ │ ├── openmx.rst │ │ ├── scf.dat │ │ └── srvo3_openmx.ini │ └── srvo3_respack │ │ ├── akw_srvo3.png │ │ ├── band_srvo3_r.in │ │ ├── nscf_respack.in │ │ ├── respack.in │ │ ├── respack.rst │ │ ├── scf_srvo3_r.in │ │ └── srvo3_respack.ini └── warning_compatibility.rst ├── docker-compose.yml ├── examples ├── .gitignore ├── README.md ├── chain_hubbardI │ ├── ci │ ├── dmft.ini │ ├── info │ ├── ref │ │ ├── test_akw.dat │ │ ├── test_akw.gp │ │ ├── test_akw.png │ │ ├── test_dos.dat │ │ ├── test_momdist.dat │ │ └── test_sigmaw.dat │ ├── run.sh │ └── test_akw.gp ├── chain_hubbardI_so │ ├── ci │ ├── dmft.ini │ ├── info │ ├── ref │ │ ├── test_akw.dat │ │ ├── test_akw.gp │ │ ├── test_akw.png │ │ ├── test_dos.dat │ │ ├── test_momdist.dat │ │ └── test_sigmaw.dat │ ├── run.sh │ └── test_akw.gp ├── examples_info.md ├── highspin_lowspin │ ├── README.md │ ├── bse.in │ ├── ci │ ├── dmft_square.in │ ├── eigenvec.in │ ├── info │ ├── local_pot.in │ ├── qpath.in │ └── run.sh ├── run_all.sh ├── run_ci.sh ├── spin_orbit │ ├── README.md │ ├── ci │ ├── gen_hr.py │ ├── info │ ├── run.sh │ ├── sigma.plt │ ├── sigma_so.plt │ ├── square_2orb.ini │ ├── square_2orb_hr.dat │ ├── square_2orb_so.ini │ └── square_2orb_so_hr.dat ├── square │ ├── README.md │ ├── ci │ ├── dmft_square.ini │ ├── info │ └── run.sh ├── square_bse │ ├── README.md │ ├── bse.in │ ├── ci │ ├── dmft_square.in │ ├── info │ ├── qpath.in │ └── run.sh ├── t2g_bethe │ ├── README.md │ ├── ci │ ├── dmft_bethe.ini │ ├── info │ └── run.sh └── tools │ ├── print_info.py │ ├── tools.sh │ └── update_readme.sh ├── note ├── bse.tex ├── ctseg.tex └── wick.sty ├── old_files ├── old_examples │ ├── nis │ │ ├── akw_nis.png │ │ ├── band_nis.in │ │ ├── band_nis.png │ │ ├── bands_nis.in │ │ ├── info │ │ ├── nis.ini │ │ ├── nis.rst │ │ ├── nis.win │ │ ├── nscf_nis.in │ │ ├── pw2wan_nis.in │ │ ├── scf_nis.in │ │ └── struct_nis.png │ ├── pb │ │ ├── akw_pb.png │ │ ├── info │ │ ├── nscf_pb.in │ │ ├── pb.ini │ │ ├── pb.rst │ │ ├── pb.win │ │ ├── pw2wan_pb.in │ │ └── scf_pb.in │ └── pb4 │ │ ├── akw_pb4.png │ │ ├── info │ │ ├── nscf_pb4.in │ │ ├── pb4.ini │ │ ├── pb4.rst │ │ ├── pb4.win │ │ ├── pb4_struct.png │ │ ├── pw2wan_pb4.in │ │ └── scf_pb4.in ├── tests_failed │ └── pre_respack_so │ │ ├── dmft.ini │ │ ├── pre_respack_so.py │ │ ├── test_hr.dat │ │ ├── test_jr.dat │ │ ├── test_ref.h5 │ │ └── test_ur.dat └── tests_optional │ ├── bse_chi0 │ ├── bse_chi0.py │ ├── dmft_bse.h5.ref │ └── square_2orb.ini │ ├── bse_sparse │ ├── bse_sparse.py │ ├── sparse_fit.ini.Lambda100 │ └── sparse_fit.ini.ref │ └── bse_square │ └── dmft_square.ini.in ├── setup.cfg ├── setup.py ├── src └── dcore │ ├── __init__.py │ ├── _dispatcher.py │ ├── _testing.py │ ├── _typing.py │ ├── _version.py │ ├── anacont │ ├── __init__.py │ ├── pade.py │ └── spm.py │ ├── backend │ ├── __init__.py │ └── _triqs_mpi.py │ ├── converters │ ├── README │ ├── __init__.py │ ├── converter_tools.py │ ├── hk.py │ └── wannier90.py │ ├── dc.py │ ├── dcore.py │ ├── dcore_anacont.py │ ├── dcore_bse.py │ ├── dcore_check.py │ ├── dcore_mpicheck.py │ ├── dcore_pre.py │ ├── dcore_spectrum.py │ ├── dcore_w90tool.py │ ├── dmft_core.py │ ├── fourier.py │ ├── impurity_solvers │ ├── __init__.py │ ├── alps_cthyb.py │ ├── alps_cthyb_seg.py │ ├── base.py │ ├── hphi.py │ ├── hphi_spectrum.py │ ├── jo_cthyb_seg.py │ ├── lanczos.py │ ├── null_solver.py │ ├── pomerol.py │ ├── scipy_sparse.py │ ├── scipy_sparse_main.py │ ├── triqs_cthyb.py │ ├── triqs_cthyb_impl.py │ ├── triqs_dep_tools.py │ ├── triqs_hubbard_I.py │ └── triqs_hubbard_I_impl.py │ ├── interaction.py │ ├── lattice_models │ ├── __init__.py │ ├── _wannier90.py │ ├── base.py │ ├── external_model.py │ ├── predefined_models.py │ ├── tools.py │ └── wannier90_model.py │ ├── manip_database.py │ ├── mpi.py │ ├── mpi_command.py │ ├── numdiff.py │ ├── openmx2dcore.py │ ├── option_tables.py │ ├── program_options.py │ ├── sumkdft_compat.py │ ├── sumkdft_opt.py │ ├── sumkdft_post.py │ ├── sumkdft_workers │ ├── __init__.py │ ├── all_workers.py │ ├── bse_worker.py │ ├── dos_worker.py │ ├── gk_worker.py │ ├── gloc_worker.py │ ├── launcher.py │ ├── mom_dist_worker.py │ ├── mpi_main.py │ ├── spaghettis_worker.py │ └── worker_base.py │ ├── symmetrizer.py │ ├── tools.py │ ├── typed_parser.py │ └── version.py ├── tests ├── mpi │ ├── README │ ├── sumkdft_opt │ │ ├── nis.h5 │ │ └── sumkdft_opt.py │ └── test_mpi.py └── non-mpi │ ├── README │ ├── alps_cthyb │ └── alps_cthyb.py │ ├── anacont_spm │ └── anacont_spm.py │ ├── fourier │ └── fourier.py │ ├── hphi │ ├── hphi.ini │ ├── sigma.dat.ref │ └── test_hphi.py │ ├── openmx │ ├── SrVO3.HWR │ ├── SrVO3_Wan.BANDDAT1 │ ├── openmx.py │ ├── srvo3_band_ref.dat │ └── srvo3_hr_ref.dat │ ├── pre_external │ ├── external.h5.in │ ├── external_ref.h5 │ └── pre_external.py │ ├── pre_preset │ ├── pre_preset.py │ ├── stan_ref_bethe.h5 │ ├── stan_ref_chain.h5 │ ├── stan_ref_cubic.h5 │ └── stan_ref_square.h5 │ ├── pre_respack │ ├── dmft.ini │ ├── pre_respack.py │ ├── test_hr.dat │ ├── test_jr.dat │ ├── test_ref.h5 │ └── test_ur.dat │ ├── pre_umat │ ├── interaction_kanamori_0_ref.h5 │ ├── interaction_kanamori_1_ref.h5 │ ├── interaction_kanamori_2_ref.h5 │ ├── interaction_kanamori_3_ref.h5 │ ├── interaction_slater_f_0_ref.h5 │ ├── interaction_slater_f_1_ref.h5 │ ├── interaction_slater_f_2_ref.h5 │ ├── interaction_slater_f_3_ref.h5 │ ├── interaction_slater_uj_0_ref.h5 │ ├── interaction_slater_uj_1_ref.h5 │ ├── interaction_slater_uj_2_ref.h5 │ ├── interaction_slater_uj_3_ref.h5 │ ├── pre_umat.py │ ├── slater_basis_eg_ref.h5 │ ├── slater_basis_j52_ref.h5 │ ├── slater_basis_spherical_0_ref.h5 │ ├── 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