├── .gitignore ├── LICENSE ├── Project.toml ├── README.md ├── docs ├── Project.toml ├── README.md ├── make.jl └── src │ ├── assets │ ├── Zen_logo.drawio │ ├── Zen_logo.pdf │ ├── Zen_logo.png │ ├── diag.pdf │ ├── diag.tex │ ├── logo.png │ └── zen.css │ ├── components │ ├── apawlib.md │ ├── arch.md │ ├── df.md │ ├── dft.md │ ├── dmft.md │ ├── docs.md │ ├── gui.md │ ├── outline.md │ ├── qim.md │ ├── tests.md │ ├── tools.md │ └── wannier.md │ ├── guide │ ├── block_case.md │ ├── block_dft.md │ ├── block_dmft.md │ ├── block_impurity.md │ ├── block_solver.md │ ├── core.md │ ├── crystal.md │ ├── fcase.md │ ├── fcycle.md │ ├── flog.md │ ├── fmpi.md │ ├── fstop.md │ ├── fterm.md │ ├── ftest.md │ ├── input.md │ ├── modes.md │ ├── monitor.md │ ├── onecomp.md │ ├── oneshot.md │ ├── outline.md │ ├── output.md │ ├── parameters.md │ ├── paw.md │ ├── plot.md │ ├── poscar.md │ ├── postprocess.md │ ├── preliminary.md │ ├── preprocess.md │ ├── qeinp.md │ ├── recipes.md │ ├── refine.md │ ├── repl.md │ ├── scf.md │ ├── script.md │ ├── standard.md │ ├── start.md │ └── tips.md │ ├── index.md │ ├── intro │ ├── about.md │ ├── cite.md │ ├── codes.md │ ├── design.md │ ├── dft.md │ ├── dft_dmft.md │ ├── dmft.md │ ├── features.md │ ├── fund.md │ ├── future.md │ ├── methods.md │ ├── motivation.md │ ├── outline.md │ ├── sces.md │ ├── support.md │ └── team.md │ ├── start │ ├── compile.md │ ├── components.md │ ├── configure.md │ ├── directory.md │ ├── install.md │ ├── obtain.md │ ├── outline.md │ ├── run.md │ ├── uncompress.md │ └── upgrade.md │ └── tutor │ ├── Ce.md │ ├── FeSe.md │ ├── MnO.md │ ├── SrVO3.md │ └── outline.md ├── src ├── core │ └── ZenCore │ │ ├── Project.toml │ │ ├── README.md │ │ ├── docs │ │ ├── README.md │ │ ├── make.jl │ │ └── src │ │ │ ├── assets │ │ │ ├── ZenCore_logo.drawio │ │ │ ├── ZenCore_logo.pdf │ │ │ ├── ZenCore_logo.png │ │ │ ├── logo.png │ │ │ └── zencore.css │ │ │ ├── index.md │ │ │ ├── install.md │ │ │ ├── intro.md │ │ │ └── library │ │ │ ├── base.md │ │ │ ├── config.md │ │ │ ├── dmft.md │ │ │ ├── global.md │ │ │ ├── ir.md │ │ │ ├── mixing.md │ │ │ ├── outline.md │ │ │ ├── plo.md │ │ │ ├── qe.md │ │ │ ├── sigma.md │ │ │ ├── solver.md │ │ │ ├── tetra.md │ │ │ ├── types.md │ │ │ ├── util.md │ │ │ ├── vasp.md │ │ │ ├── wannier.md │ │ │ └── zencore.md │ │ └── src │ │ ├── ZenCore.jl │ │ ├── base.jl │ │ ├── config.jl │ │ ├── dmft.jl │ │ ├── global.jl │ │ ├── ir.jl │ │ ├── mixer.jl │ │ ├── plo.jl │ │ ├── qe.jl │ │ ├── sigma.jl │ │ ├── solver.jl │ │ ├── tetra.jl │ │ ├── types.jl │ │ ├── util.jl │ │ ├── vasp.jl │ │ └── wannier.jl ├── dmft │ ├── DFermion │ │ └── empty.md │ └── Dyson │ │ ├── Project.toml │ │ ├── README.md │ │ ├── docs │ │ ├── README.md │ │ ├── make.jl │ │ └── src │ │ │ ├── assets │ │ │ ├── Dyson_logo.drawio │ │ │ ├── Dyson_logo.pdf │ │ │ ├── Dyson_logo.png │ │ │ ├── dyson.css │ │ │ └── logo.png │ │ │ ├── index.md │ │ │ ├── input.md │ │ │ ├── install.md │ │ │ ├── intro.md │ │ │ ├── output.md │ │ │ ├── param.md │ │ │ └── usage.md │ │ └── src │ │ ├── Makefile │ │ ├── dmft_context.f90 │ │ ├── dmft_control.f90 │ │ ├── dmft_core.f90 │ │ ├── dmft_dump.f90 │ │ ├── dmft_flow.f90 │ │ ├── dmft_main.f90 │ │ ├── dmft_print.f90 │ │ ├── dmft_psichi.f90 │ │ ├── dmft_stream.f90 │ │ ├── dmft_task.f90 │ │ └── dmft_util.f90 ├── libs │ └── Flink │ │ ├── Project.toml │ │ ├── README.md │ │ ├── docs │ │ ├── README.md │ │ ├── make.jl │ │ └── src │ │ │ ├── appendix │ │ │ └── make.md │ │ │ ├── assets │ │ │ ├── Flink_logo.drawio │ │ │ ├── Flink_logo.pdf │ │ │ ├── flink.css │ │ │ └── logo.png │ │ │ ├── guide │ │ │ ├── m_constants.md │ │ │ ├── m_face.md │ │ │ ├── m_linkedlist.md │ │ │ ├── m_mpi.md │ │ │ ├── m_parser.md │ │ │ ├── m_sparse.md │ │ │ ├── m_spring.md │ │ │ ├── m_stack.md │ │ │ ├── m_tetra.md │ │ │ ├── s_error.md │ │ │ ├── s_fourier.md │ │ │ ├── s_function.md │ │ │ ├── s_integrator.md │ │ │ ├── s_matrix.md │ │ │ ├── s_spline.md │ │ │ ├── s_util.md │ │ │ └── s_vector.md │ │ │ ├── index.md │ │ │ ├── install.md │ │ │ ├── intro.md │ │ │ └── usage.md │ │ └── src │ │ ├── Makefile │ │ ├── m_constants.f90 │ │ ├── m_face.f90 │ │ ├── m_linkedlist.f90 │ │ ├── m_mpi.f90 │ │ ├── m_parser.f90 │ │ ├── m_sparse.f90 │ │ ├── m_spring.f90 │ │ ├── m_stack.f90 │ │ ├── m_tetra.f90 │ │ ├── s_error.f90 │ │ ├── s_fourier.f90 │ │ ├── s_function.f90 │ │ ├── s_integrator.f90 │ │ ├── s_matrix.f90 │ │ ├── s_spline.f90 │ │ ├── s_util.f90 │ │ └── s_vector.f90 ├── solver │ └── iQIST │ │ ├── Project.toml │ │ ├── README.md │ │ ├── docs │ │ ├── README.md │ │ ├── make.jl │ │ └── src │ │ │ ├── assets │ │ │ ├── 11grnf.png │ │ │ ├── 11grnf_err.png │ │ │ ├── 11gtau.png │ │ │ ├── 11hist.png │ │ │ ├── 11sigf.png │ │ │ ├── 12grnf.png │ │ │ ├── 12gtau.png │ │ │ ├── 12hist.png │ │ │ ├── 12nmat.png │ │ │ ├── 12zb.png │ │ │ ├── dft_dmft_type.png │ │ │ ├── dir.png │ │ │ ├── dmft.png │ │ │ ├── iqist.css │ │ │ ├── lattice.png │ │ │ ├── logo.png │ │ │ ├── manjushaka.jpg │ │ │ ├── narcissus.jpg │ │ │ └── scf_dmft.png │ │ │ ├── ch01 │ │ │ ├── architecture.md │ │ │ ├── components.md │ │ │ ├── feature.md │ │ │ ├── index.md │ │ │ ├── motivation.md │ │ │ ├── policy.md │ │ │ └── what.md │ │ │ ├── ch02 │ │ │ ├── atomic.md │ │ │ ├── directory.md │ │ │ ├── docs.md │ │ │ ├── envir.md │ │ │ ├── full.md │ │ │ ├── inc.md │ │ │ ├── index.md │ │ │ ├── multi.md │ │ │ ├── obtain.md │ │ │ ├── solvers.md │ │ │ ├── system.md │ │ │ └── uncompress.md │ │ │ ├── ch03 │ │ │ ├── config.md │ │ │ ├── create.md │ │ │ ├── execute.md │ │ │ ├── index.md │ │ │ ├── monitor.md │ │ │ ├── profile.md │ │ │ └── recipes.md │ │ │ ├── ch04 │ │ │ ├── choose.md │ │ │ ├── in_anydos.md │ │ │ ├── in_atom.md │ │ │ ├── in_ctqmc.md │ │ │ ├── in_eimp.md │ │ │ ├── in_hyb.md │ │ │ ├── in_ktau.md │ │ │ ├── in_umat.md │ │ │ ├── index.md │ │ │ ├── input.md │ │ │ ├── out_ch_t.md │ │ │ ├── out_ch_w.md │ │ │ ├── out_diag.md │ │ │ ├── out_green.md │ │ │ ├── out_grn.md │ │ │ ├── out_hist.md │ │ │ ├── out_hyb.md │ │ │ ├── out_hybri.md │ │ │ ├── out_kern.md │ │ │ ├── out_kmat.md │ │ │ ├── out_lrmm.md │ │ │ ├── out_nmat.md │ │ │ ├── out_prob.md │ │ │ ├── out_sgm.md │ │ │ ├── out_sp_t.md │ │ │ ├── out_sp_w.md │ │ │ ├── out_stat.md │ │ │ ├── out_term.md │ │ │ ├── out_weiss.md │ │ │ ├── out_wss.md │ │ │ ├── output.md │ │ │ ├── p_alpha.md │ │ │ ├── p_beta.md │ │ │ ├── p_isbnd.md │ │ │ ├── p_isort.md │ │ │ ├── p_isscf.md │ │ │ ├── p_isscr.md │ │ │ ├── p_isspn.md │ │ │ ├── p_jp.md │ │ │ ├── p_js.md │ │ │ ├── p_jz.md │ │ │ ├── p_lc.md │ │ │ ├── p_legrd.md │ │ │ ├── p_lemax.md │ │ │ ├── p_mfreq.md │ │ │ ├── p_mkink.md │ │ │ ├── p_mune.md │ │ │ ├── p_nband.md │ │ │ ├── p_nbfrq.md │ │ │ ├── p_ncarlo.md │ │ │ ├── p_ncfgs.md │ │ │ ├── p_nclean.md │ │ │ ├── p_nffrq.md │ │ │ ├── p_nflip.md │ │ │ ├── p_nfreq.md │ │ │ ├── p_niter.md │ │ │ ├── p_nmonte.md │ │ │ ├── p_norbs.md │ │ │ ├── p_nspin.md │ │ │ ├── p_nsweep.md │ │ │ ├── p_ntherm.md │ │ │ ├── p_ntime.md │ │ │ ├── p_nwrite.md │ │ │ ├── p_part.md │ │ │ ├── p_u.md │ │ │ ├── p_uc.md │ │ │ ├── p_uv.md │ │ │ ├── p_wc.md │ │ │ └── parameters.md │ │ │ ├── ch05 │ │ │ ├── in_atom.md │ │ │ ├── in_cmat.md │ │ │ ├── in_emat.md │ │ │ ├── in_tmat.md │ │ │ ├── index.md │ │ │ ├── input.md │ │ │ ├── output.md │ │ │ ├── p_ibasis.md │ │ │ ├── p_icf.md │ │ │ ├── p_ictqmc.md │ │ │ ├── p_icu.md │ │ │ ├── p_isoc.md │ │ │ ├── p_jh.md │ │ │ ├── p_jp.md │ │ │ ├── p_js.md │ │ │ ├── p_jz.md │ │ │ ├── p_lambda.md │ │ │ ├── p_mune.md │ │ │ ├── p_nband.md │ │ │ ├── p_ncfgs.md │ │ │ ├── p_nmaxi.md │ │ │ ├── p_nmini.md │ │ │ ├── p_norbs.md │ │ │ ├── p_nspin.md │ │ │ ├── p_uc.md │ │ │ ├── p_ud.md │ │ │ ├── p_uv.md │ │ │ └── parameters.md │ │ │ ├── ch06 │ │ │ ├── atomic.md │ │ │ ├── ctqmc.md │ │ │ ├── index.md │ │ │ ├── movie.md │ │ │ ├── reader.md │ │ │ └── writer.md │ │ │ ├── ch07 │ │ │ ├── accurate.md │ │ │ ├── basic.md │ │ │ ├── complex.md │ │ │ ├── hello.md │ │ │ ├── index.md │ │ │ ├── mott.md │ │ │ ├── post.md │ │ │ ├── practical.md │ │ │ └── story.md │ │ │ ├── ch08 │ │ │ ├── atomic.md │ │ │ ├── basic.md │ │ │ ├── basis.md │ │ │ ├── coulomb.md │ │ │ ├── ct.md │ │ │ ├── hyb.md │ │ │ ├── index.md │ │ │ ├── lazy.md │ │ │ ├── platform.md │ │ │ ├── qim.md │ │ │ ├── rng.md │ │ │ ├── sig.md │ │ │ ├── soc.md │ │ │ └── truncation.md │ │ │ ├── copy.md │ │ │ ├── glossary.md │ │ │ ├── index.md │ │ │ ├── team.md │ │ │ └── thanks.md │ │ └── src │ │ ├── atomic │ │ └── empty.md │ │ ├── cthyb │ │ └── empty.md │ │ └── ctseg │ │ ├── Makefile │ │ ├── ctqmc_context.f90 │ │ ├── ctqmc_control.f90 │ │ ├── ctqmc_dmft.f90 │ │ ├── ctqmc_dump.f90 │ │ ├── ctqmc_flavor.f90 │ │ ├── ctqmc_hybmat.f90 │ │ ├── ctqmc_main.f90 │ │ ├── ctqmc_print.f90 │ │ ├── ctqmc_record.f90 │ │ ├── ctqmc_solver.f90 │ │ ├── ctqmc_status.f90 │ │ ├── ctqmc_stream.f90 │ │ ├── ctqmc_update.f90 │ │ └── ctqmc_util.f90 └── toolbox │ ├── ACFlow │ ├── Project.toml │ ├── README.md │ ├── docs │ │ ├── README.md │ │ ├── make.jl │ │ └── src │ │ │ ├── assets │ │ │ ├── ACFlowlogo.drawio │ │ │ ├── ACFlowlogo.pdf │ │ │ ├── T_E1.png │ │ │ ├── T_E2.png │ │ │ ├── T_E3.png │ │ │ ├── T_E4.png │ │ │ ├── acflow.css │ │ │ ├── gui1.png │ │ │ ├── gui2.png │ │ │ ├── logo.png │ │ │ ├── sac.png │ │ │ ├── san.png │ │ │ ├── som.png │ │ │ └── spx.png │ │ │ ├── examples │ │ │ ├── current.md │ │ │ ├── green1.md │ │ │ ├── green2.md │ │ │ └── sigma.md │ │ │ ├── index.md │ │ │ ├── intro │ │ │ ├── ack.md │ │ │ ├── acp.md │ │ │ ├── cite.md │ │ │ └── motivation.md │ │ │ ├── library │ │ │ ├── acflow.md │ │ │ ├── base.md │ │ │ ├── config.md │ │ │ ├── global.md │ │ │ ├── grid.md │ │ │ ├── inout.md │ │ │ ├── kernel.md │ │ │ ├── math.md │ │ │ ├── mesh.md │ │ │ ├── model.md │ │ │ ├── outline.md │ │ │ ├── solver.md │ │ │ ├── type.md │ │ │ └── util.md │ │ │ ├── man │ │ │ ├── feature.md │ │ │ ├── gui.md │ │ │ ├── impl.md │ │ │ ├── input.md │ │ │ ├── install.md │ │ │ ├── output.md │ │ │ ├── param.md │ │ │ ├── performance.md │ │ │ ├── run.md │ │ │ ├── test.md │ │ │ └── tricks.md │ │ │ └── theory │ │ │ ├── basic.md │ │ │ ├── maxent.md │ │ │ ├── nac.md │ │ │ ├── reference.md │ │ │ ├── rfa.md │ │ │ ├── sac1.md │ │ │ ├── sac2.md │ │ │ ├── som.md │ │ │ └── spx.md │ ├── src │ │ ├── ACFlow.jl │ │ ├── base.jl │ │ ├── config.jl │ │ ├── global.jl │ │ ├── grid.jl │ │ ├── inout.jl │ │ ├── kernel.jl │ │ ├── math.jl │ │ ├── maxent.jl │ │ ├── mesh.jl │ │ ├── model.jl │ │ ├── nac.jl │ │ ├── rfa.jl │ │ ├── sac.jl │ │ ├── san.jl │ │ ├── som.jl │ │ ├── spx.jl │ │ ├── types.jl │ │ └── util.jl │ └── util │ │ ├── acprun.jl │ │ ├── acrun.jl │ │ ├── gmesh.jl │ │ └── ppole.jl │ ├── ACGui │ ├── Project.toml │ ├── README.md │ ├── docs │ │ ├── README.md │ │ ├── make.jl │ │ └── src │ │ │ ├── assets │ │ │ ├── acgui.css │ │ │ ├── data.png │ │ │ ├── general.png │ │ │ ├── run.png │ │ │ └── solver.png │ │ │ ├── index.md │ │ │ ├── install.md │ │ │ ├── intro.md │ │ │ ├── library.md │ │ │ └── usage.md │ ├── src │ │ ├── ACGui.jl │ │ ├── assets │ │ │ └── acg.css │ │ ├── base.jl │ │ ├── callback.jl │ │ └── layout.jl │ └── util │ │ └── acg.jl │ ├── ACTest │ ├── Project.toml │ ├── README.md │ ├── docs │ │ ├── README.md │ │ ├── make.jl │ │ └── src │ │ │ ├── assets │ │ │ ├── ACTestlogo.drawio │ │ │ ├── ACTestlogo.pdf │ │ │ ├── T_b.png │ │ │ ├── T_dataset.png │ │ │ ├── T_f.png │ │ │ ├── T_maxent.png │ │ │ ├── T_mesh.png │ │ │ ├── actest.css │ │ │ ├── gui1.png │ │ │ ├── gui2.png │ │ │ └── logo.png │ │ │ ├── examples │ │ │ ├── acflow.md │ │ │ ├── generate.md │ │ │ └── plot.md │ │ │ ├── index.md │ │ │ ├── intro │ │ │ ├── ack.md │ │ │ ├── cite.md │ │ │ └── motivation.md │ │ │ ├── library │ │ │ ├── actest.md │ │ │ ├── base.md │ │ │ ├── config.md │ │ │ ├── dataset.md │ │ │ ├── global.md │ │ │ ├── grid.md │ │ │ ├── inout.md │ │ │ ├── kernel.md │ │ │ ├── math.md │ │ │ ├── mesh.md │ │ │ ├── outline.md │ │ │ ├── peak.md │ │ │ ├── spectrum.md │ │ │ ├── type.md │ │ │ └── util.md │ │ │ ├── man │ │ │ ├── act100.md │ │ │ ├── feature.md │ │ │ ├── gui.md │ │ │ ├── input.md │ │ │ ├── install.md │ │ │ ├── interface.md │ │ │ ├── output.md │ │ │ ├── param.md │ │ │ └── script.md │ │ │ └── theory │ │ │ ├── grid.md │ │ │ ├── kernel.md │ │ │ ├── mesh.md │ │ │ ├── noise.md │ │ │ └── peak.md │ ├── src │ │ ├── ACTest.jl │ │ ├── base.jl │ │ ├── config.jl │ │ ├── dataset.jl │ │ ├── global.jl │ │ ├── grid.jl │ │ ├── inout.jl │ │ ├── kernel.jl │ │ ├── math.jl │ │ ├── mesh.jl │ │ ├── peak.jl │ │ ├── types.jl │ │ └── util.jl │ └── util │ │ ├── acflow.jl │ │ ├── acgen.jl │ │ ├── acmat.jl │ │ ├── acplot.jl │ │ ├── acstd.jl │ │ └── minipole.jl │ ├── ZenGui │ ├── Project.toml │ ├── README.md │ ├── docs │ │ ├── README.md │ │ ├── make.jl │ │ └── src │ │ │ ├── assets │ │ │ ├── ZenGui_logo.drawio │ │ │ ├── ZenGui_logo.pdf │ │ │ ├── ZenGui_logo.png │ │ │ ├── fig1.png │ │ │ ├── fig2.png │ │ │ ├── fig3.png │ │ │ ├── fig4.png │ │ │ ├── logo.png │ │ │ └── zengui.css │ │ │ ├── index.md │ │ │ ├── install.md │ │ │ ├── intro.md │ │ │ ├── library.md │ │ │ └── usage.md │ ├── src │ │ ├── .fonts │ │ │ └── FiraCode-Regular.ttf │ │ ├── .images │ │ │ ├── bg1.jpg │ │ │ ├── bg10.jpg │ │ │ ├── bg11.jpg │ │ │ ├── bg12.jpg │ │ │ ├── bg2.jpg │ │ │ ├── bg3.jpg │ │ │ ├── bg4.jpg │ │ │ ├── bg5.png │ │ │ ├── bg6.jpg │ │ │ ├── bg7.jpg │ │ │ ├── bg8.jpg │ │ │ ├── bg9.jpg │ │ │ └── logo.png │ │ ├── ZenGui.jl │ │ ├── about.jl │ │ ├── acflow.jl │ │ ├── actest.jl │ │ ├── atomic.jl │ │ ├── base.jl │ │ ├── cthyb.jl │ │ ├── ctseg.jl │ │ ├── dfermion.jl │ │ ├── dyson.jl │ │ ├── global.jl │ │ ├── menu.jl │ │ ├── save.jl │ │ ├── types.jl │ │ ├── util.jl │ │ └── zen.jl │ └── util │ │ └── zeng.jl │ └── ZenTools │ ├── Project.toml │ ├── README.md │ ├── docs │ └── src │ │ └── assets │ │ ├── ZenTools_logo.drawio │ │ ├── ZenTools_logo.pdf │ │ ├── ZenTools_logo.png │ │ └── zentools.css │ ├── src │ └── empty.md │ └── util │ ├── analyze.jl │ ├── dft_dmft.jl │ ├── ircheck.jl │ ├── onlydiag.jl │ ├── ploband.jl │ └── wannband.jl ├── test ├── Ce │ ├── E00 │ │ ├── Ce.toml │ │ ├── MPI.toml │ │ ├── POSCAR │ │ └── clean.sh │ └── E01 │ │ ├── Ce.toml │ │ ├── MPI.toml │ │ ├── POSCAR │ │ └── clean.sh ├── FeSe │ ├── B00 │ │ ├── FeSe.toml │ │ ├── MPI.toml │ │ ├── POSCAR │ │ └── clean.sh │ ├── B01 │ │ ├── FeSe.toml │ │ ├── MPI.toml │ │ ├── POSCAR │ │ └── clean.sh │ └── B02 │ │ ├── FeSe.toml │ │ ├── MPI.toml │ │ ├── POSCAR │ │ └── clean.sh ├── Ni │ ├── C00 │ │ ├── MPI.toml │ │ ├── Ni.toml │ │ ├── POSCAR │ │ └── clean.sh │ ├── C01 │ │ ├── MPI.toml │ │ ├── Ni.toml │ │ ├── POSCAR │ │ └── clean.sh │ └── C02 │ │ ├── MPI.toml │ │ ├── Ni.toml │ │ ├── POSCAR │ │ └── clean.sh ├── NiO │ ├── D00 │ │ ├── MPI.toml │ │ ├── NiO.toml │ │ ├── POSCAR │ │ └── clean.sh │ ├── D01 │ │ ├── MPI.toml │ │ ├── NiO.toml │ │ ├── POSCAR │ │ └── clean.sh │ └── D02 │ │ ├── MPI.toml │ │ ├── NiO.toml │ │ ├── POSCAR │ │ └── clean.sh ├── SrVO3 │ ├── A00 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A01 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A02 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A03 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A04 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A05 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A06 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A07 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A08 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A09 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A10 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A11 │ │ ├── MPI.toml │ │ ├── QE.INP │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A12 │ │ ├── MPI.toml │ │ ├── QE.INP │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A13 │ │ ├── MPI.toml │ │ ├── QE.INP │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A14 │ │ ├── MPI.toml │ │ ├── QE.INP │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A15 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A16 │ │ ├── MPI.toml │ │ ├── POSCAR │ │ ├── SrVO3.toml │ │ └── clean.sh │ ├── A17 │ │ ├── MPI.toml │ │ 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