├── LICENSE ├── NOTICE ├── README ├── configure.py ├── configure.py.gnu ├── configure.py.gnu_rocky ├── configure.py.intel ├── configure.py.macos ├── configure.py.mix_gnu_mkl ├── configure.py.titan ├── install_script ├── __init__.py ├── blas.py ├── dmft_install.py ├── fftw.py ├── gsl.py ├── iframework.py ├── iutils.py ├── lapack.py └── pybind11.py ├── setup.py └── src ├── Makefile ├── README ├── RELEASE_NOTES ├── TODO ├── broad ├── Makefile ├── bblas.h ├── interpolate.h ├── nbrd.cc ├── old │ ├── ._assert.h │ ├── ._broad.cc │ ├── ._complex.h │ ├── ._sblas.h │ ├── ._sfunction.h │ ├── ._smesh.h │ ├── ._sutil.h │ ├── Makefile │ ├── assert.h │ ├── broad │ ├── broad.cc │ ├── complex.h │ ├── sblas.h │ ├── sfunction.h │ ├── smesh.h │ ├── sutil.h │ └── zeroin.h ├── tanmesh.h └── util.h ├── cif2indmf ├── cif2indmf.py ├── cif2struct.py └── localaxes.py ├── dftKS ├── Makefile ├── atpar.f90 ├── atpar │ ├── Makefile │ ├── abc.f90 │ ├── atpar.f90 │ ├── dergl.f90 │ ├── diracout.f90 │ ├── inouh.f90 │ ├── inth.f90 │ ├── outwin.f90 │ ├── outwinc.f90 │ ├── readPot.f90 │ └── rint13.f90 ├── cbcomb.f90 ├── cmplx │ └── .gitignore ├── cputim.c ├── diagonalize.FPP ├── dsyr2m.f90 ├── dvbes1.f90 ├── errclr.f90 ├── errflg.f90 ├── find_nloat.f90 ├── forfhs.f90 ├── gaunt1.f90 ├── generate_reciprocal.f90 ├── gtfnam.FPP ├── hamilt.FPP ├── hns.FPP ├── horb.FPP ├── lapw1.FPP ├── lattice │ ├── Makefile │ ├── correct_rotij.f90 │ ├── generate_lattice.f90 │ ├── get_rotij_tauij.f90 │ ├── inverssymdef.f90 │ └── structure.f90 ├── linEnergySearch.f90 ├── lmsort.f90 ├── lohns.f90 ├── lopw.f90 ├── make_albl.f90 ├── modules.FPP ├── mpi.FPP ├── nn.f90 ├── outerr.f90 ├── prtkpt.FPP ├── readFirstPart_of_in1.f90 ├── readKlist.f90 ├── readSecondPart_of_in1.f90 ├── readThirdPart_of_in1.f90 ├── read_and_initialize.FPP ├── read_def_file.f90 ├── readorbital.f90 ├── real │ └── .gitignore ├── setwar.FPP ├── sphbes.f90 ├── stern.FPP ├── tapewf.FPP ├── vectf.f90 ├── warpin.FPP ├── wfpnt.FPP ├── wfpnt1.FPP ├── ylm.f90 └── zher2m.f90 ├── dftso ├── Makefile ├── abc_r.f90 ├── abclm.f90 ├── angle.f90 ├── atpar.f90 ├── atpar │ ├── Makefile │ ├── abc.f90 │ ├── atpar.f90 │ ├── dergl.f90 │ ├── diracout.f90 │ ├── inouh.f90 │ ├── inth.f90 │ ├── outwin.f90 │ ├── outwinc.f90 │ ├── readPot.f90 │ └── rint13.f90 ├── cali.f90 ├── couple.f90 ├── cputim.c ├── dergl.f90 ├── dergl2.f90 ├── diracout.f90 ├── dvbes1.f90 ├── errclr.f90 ├── errflg.f90 ├── euler.f90 ├── find_nlos.f90 ├── garadme.f90 ├── garadorb.f90 ├── gaunt1.f90 ├── gaunt2.f90 ├── get_new_nloat.f90 ├── get_nloat.f90 ├── getmaxdim.f90 ├── gtfnam.f90 ├── harmon2.f90 ├── hmsec.f90 ├── hns.f90 ├── horbcalc.f90 ├── hscalc.f90 ├── hsocalc.f90 ├── inouh.f90 ├── inth.f90 ├── kptout.f90 ├── lagder.f90 ├── lap_bp.f90 ├── lapwso.f90 ├── lattice │ ├── Makefile │ ├── correct_rotij.f90 │ ├── generate_lattice.f90 │ ├── get_rotij_tauij.f90 │ ├── inverssymdef.f90 │ └── structure.f90 ├── lomain.f90 ├── modules.f90 ├── mpi.FPP ├── outerr.f90 ├── read_def_file.f90 ├── read_inso.f90 ├── read_orbital.f90 ├── rlomain.f90 ├── select.f90 ├── sphbes.f90 ├── sphbru.f90 ├── symop.f90 ├── vderiv.f90 ├── vnsrint.f90 ├── vorblo.f90 └── ylm.f90 ├── dmft1 ├── BinomialTheorem.doc ├── Makefile ├── angle.f90 ├── atpar.f90 ├── atpar │ ├── Makefile │ ├── abc.f90 │ ├── atpar.f90 │ ├── dergl.f90 │ ├── diracout.f90 │ ├── inouh.f90 │ ├── inth.f90 │ ├── outwin.f90 │ ├── readPot.f90 │ └── rint13.f90 ├── cmp_dm.f90 ├── cmpdmftrans.f90 ├── cmpxqtl.f90 ├── cputim.c ├── dmftmain.f90 ├── dvbes1.f90 ├── eigsys.f90 ├── error_handle.f90 ├── gtfnam2.f90 ├── harmon.f90 ├── inverss.f90 ├── l2main.f90 ├── l2mainSubs.f90 ├── lomain.f90 ├── mknam.f90 ├── mod_mpi.FPP ├── modules.f90 ├── occupi.f90 ├── occupr.f90 ├── occupx.f90 ├── overlap1.f90 ├── p_project.f90 ├── printgloc.f90 ├── rdU.f90 ├── readselfenergy.f90 ├── romb.f90 ├── rotate.f90 ├── sphbes.f90 ├── spin_rotate.f90 ├── spline.f90 ├── splines.f90 ├── stern.f90 ├── structure.f90 ├── sym.f90 ├── symmetrize.f90 ├── symop.f90 ├── testxqtldiff.f90 ├── trafo.f90 ├── trafoso.f90 ├── w_atpar.f90 ├── ylm.f90 └── zinv.f90 ├── dmft2 ├── Makefile ├── alm_blm_clm.f90 ├── angle.f90 ├── atpar │ ├── Makefile │ ├── abc.f90 │ ├── atpar.f90 │ ├── dergl.f90 │ ├── diracout.f90 │ ├── inouh.f90 │ ├── inth.f90 │ ├── outwin.f90 │ ├── readPot.f90 │ └── rint13.f90 ├── c3fft.f90 ├── charge.f90 ├── cmp_dmft_weights.f90 ├── cmp_log_gdloc.f90 ├── cmp_mt_density.f90 ├── combine_energy.py ├── combine_vector.py ├── combineud.f90 ├── cputim.c ├── csplit.f90 ├── d5splt.f90 ├── deter.f90 ├── dfrad.f90 ├── dmft2.f90 ├── dmfts.f90 ├── dvbes1.f90 ├── eigsys.f90 ├── errclr.f90 ├── errflg.f90 ├── f7splt.f90 ├── fermi.f90 ├── fermi_from_data.f90 ├── ffts.f90 ├── fftw3-mpi.f03 ├── fftw3q.f03 ├── fomai3.f90 ├── forces.f90 ├── gaunt.f90 ├── gtfnam.f90 ├── harmon.f90 ├── ifflim.f90 ├── init_energy_file.f90 ├── inverss.f90 ├── kdelta.f90 ├── l2main.f90 ├── l2mainSubs.f90 ├── latgen.f90 ├── lda_fermi.f90 ├── lomain.f90 ├── mod_mpi.FPP ├── modules.f90 ├── notri.f90 ├── outerr.f90 ├── p3splt.f90 ├── p_project.f90 ├── print_pre_atpar.f90 ├── psplit.f90 ├── rdVec.f90 ├── read_energy.py ├── read_vectors.py ├── readselfenergy.f90 ├── reallocate.f90 ├── recfil.f90 ├── recpr.f90 ├── rho_diff.py ├── ri_mat.f90 ├── romb.f90 ├── rotdef.f90 ├── sortag.f90 ├── sorttodiag.f90 ├── sphbes.f90 ├── spin_rotate.f90 ├── spline.f90 ├── splines.f90 ├── stern.f90 ├── structure.f90 ├── sym.f90 ├── symmetrize.f90 ├── t3j.f90 ├── vdrho.f90 ├── w_atpar.f90 ├── ylm.f90 ├── zeroin.f90 └── zinv.f90 ├── doc ├── ._Forces_LAPW.pdf ├── ALiu_Manual │ ├── .DS_Store │ ├── DFT+DMFT_usersguide_v29.pdf │ └── DFT_DMFT_usersguide_versions │ │ ├── .DFT+DMFT_usersguide_v9.tex.kate-swp │ │ ├── DFT+DMFT_usersguide_v29.aux │ │ ├── DFT+DMFT_usersguide_v29.bbl │ │ ├── DFT+DMFT_usersguide_v29.bib │ │ ├── DFT+DMFT_usersguide_v29.blg │ │ ├── DFT+DMFT_usersguide_v29.brf │ │ ├── DFT+DMFT_usersguide_v29.dvi │ │ ├── DFT+DMFT_usersguide_v29.lof │ │ ├── DFT+DMFT_usersguide_v29.log │ │ ├── DFT+DMFT_usersguide_v29.lot │ │ ├── DFT+DMFT_usersguide_v29.out │ │ ├── DFT+DMFT_usersguide_v29.pdf │ │ ├── DFT+DMFT_usersguide_v29.tex │ │ ├── DFT+DMFT_usersguide_v29.tex.backup │ │ ├── DFT+DMFT_usersguide_v29.toc │ │ ├── DFT+DMFT_usersguide_v3.aux │ │ ├── DFT+DMFT_usersguide_v3.bbl │ │ ├── DFT+DMFT_usersguide_v3.bib │ │ ├── DFT+DMFT_usersguide_v3.blg │ │ ├── DFT+DMFT_usersguide_v3.dvi │ │ ├── DFT+DMFT_usersguide_v3.log │ │ ├── DFT+DMFT_usersguide_v3.pdf │ │ ├── DFT+DMFT_usersguide_v3.tex │ │ ├── DFT+DMFT_usersguide_v3.tex.backup │ │ ├── DFT+DMFT_usersguide_v3.toc │ │ ├── DMFTsubmit.png │ │ ├── FCC_FeBandStructure.png │ │ ├── FCC_Fe_brillouin.png │ │ ├── Mainwindow.png │ │ ├── NEWPHYSICS1.png │ │ ├── NEWPHYSICS2.png │ │ ├── NEWPHYSICSDFT+DMFT.png │ │ ├── NEWPHYSICSDMFT.png │ │ ├── StructGen1.png │ │ ├── StructGen2.png │ │ ├── StructGen3.png │ │ ├── StructGen4.png │ │ ├── StructGen5.png │ │ ├── gnuplotChemicalPotential1.eps │ │ ├── gnuplotChemicalPotential1.pdf │ │ ├── gnuplotChemicalPotential2.eps │ │ ├── gnuplotChemicalPotential2.pdf │ │ ├── gnuplotChemicalPotential3.eps │ │ ├── gnuplotChemicalPotential3.pdf │ │ ├── gnuplotImaginaryPartRealFrequency.eps │ │ ├── gnuplotImaginaryPartRealFrequency.pdf │ │ ├── gnuplotImpurityLevel.eps │ │ ├── gnuplotImpurityLevel.pdf │ │ ├── gnuplotOptDOS.eps │ │ ├── gnuplotOptDOS.pdf │ │ ├── gnuplotOptics.eps │ │ ├── gnuplotOptics.pdf │ │ ├── gnuplotPartialDOS.eps │ │ ├── gnuplotPartialDOS.pdf │ │ ├── gnuplotPartialDOSTotalDOS.eps │ │ ├── gnuplotPartialDOSTotalDOS.pdf │ │ ├── gnuplotProbability.eps │ │ ├── gnuplotProbability.pdf │ │ ├── gnuplotProbability2.eps │ │ ├── gnuplotProbability2.pdf │ │ ├── gnuplotRealPartRealFrequency.eps │ │ ├── gnuplotRealPartRealFrequency.pdf │ │ ├── gnuplotSelfEnergySigoutbMC.eps │ │ ├── gnuplotSelfEnergySigoutbMC.pdf │ │ ├── gnuplotSelfEnergysiginpMC.eps │ │ ├── gnuplotSelfEnergysiginpMC.pdf │ │ ├── gnuplotSelfEnergysiginpeg.eps │ │ ├── gnuplotSelfEnergysiginpeg.pdf │ │ ├── gnuplotSelfEnergysiginpt2g.eps │ │ ├── gnuplotSelfEnergysiginpt2g.pdf │ │ ├── gnuplotTotalDOS.eps │ │ ├── gnuplotTotalDOS.pdf │ │ ├── gnuplothistogram.eps │ │ ├── gnuplothistogram.pdf │ │ └── paramsdat.png ├── ExactDC.pdf ├── Feynman.pdf ├── Feynman.png ├── Forces_LAPW.aux ├── Forces_LAPW.log ├── Forces_LAPW.pdf ├── Forces_LAPW.tex ├── FreeEnergy.pdf ├── FreeEnergy2.pdf ├── FreeEnergy2.tex ├── How_to_optimize ├── Impurity_Total_Energy.pdf ├── Remember.txt ├── Remember2.txt ├── TwoParticleVertexNotes.pdf ├── dmftw2k_Manual.pdf ├── dmftw2k_Manual.tex ├── how_to_plot_spectra ├── lda+dmft-scheme.odp ├── lda+dmft-scheme.ppt ├── lda+dmft-scheme1.eps ├── lda+dmft-scheme2.eps ├── lda+dmft-scheme3.eps ├── lda+dmft.pdf ├── lda+dmft.tex ├── magnetic.aux ├── magnetic.log ├── magnetic.pdf ├── magnetic.tex ├── optics_notes.pdf ├── optics_parallel_execution ├── rotations.aux ├── rotations.log ├── rotations.pdf ├── rotations.tex ├── simple_lapw.pdf ├── simple_lapw.tex └── totalE_SlaterI.pdf ├── downfold ├── Makefile ├── README.txt ├── downfold.py ├── downfold_2_to_1.py ├── kgenall.py └── latgen.f90 ├── exactDC ├── CmpSlaterInt.py ├── CoulUs.py ├── Makefile ├── RCoulombU.py ├── dmft_DC.py ├── doc │ ├── ._ExactDC.pdf │ ├── ._totalE_SlaterI.pdf │ ├── ExactDC.pdf │ └── totalE_SlaterI.pdf ├── gpoint.f90 ├── readTrans.py └── yw_excor.f90 ├── impurity ├── NCA │ ├── Common.h │ ├── Makefile │ ├── assert.h │ ├── average.h │ ├── blas.h │ ├── complex.h │ ├── function.h │ ├── generate.cc │ ├── mesh.h │ ├── nca.cc │ ├── parser.h │ ├── tgenerate.cc │ ├── timer.h │ ├── util.h │ └── zeroin.h ├── OCA │ ├── Common.h │ ├── Makefile │ ├── assert.h │ ├── average.h │ ├── blas.h │ ├── classes.h │ ├── cmpi.h │ ├── complex.h │ ├── definitions.h │ ├── function.h │ ├── generate.cc │ ├── generate_new.cc │ ├── integrate.h │ ├── mesh.h │ ├── oca.cc │ ├── parser.h │ ├── timer.h │ ├── util.h │ └── zeroin.h ├── addCF │ └── cixaddCF.py ├── ancont │ ├── Makefile │ ├── README │ ├── ancont.py │ ├── chi2f.f90 │ ├── pmesh.py │ ├── run.sh │ └── strans ├── atom_ctqmc │ ├── Makefile │ ├── README_5_2 │ ├── assert.h │ ├── atomh.cc │ ├── blas.h │ ├── complex.h │ ├── function.h │ ├── mesh.h │ ├── parser.h │ └── util.h ├── atomd │ ├── Makefile │ ├── atom_d.py │ ├── atom_d_original.py │ ├── atom_d_recent.py │ ├── atom_orbitalsusc.py │ ├── cubic_harmonics.py │ ├── debug │ │ ├── T2C.npy │ │ ├── Trans.dat │ │ ├── actqmc.cix │ │ ├── actqmc.cix_fast │ │ ├── actqmc.cix_slow │ │ ├── case1 │ │ ├── case2 │ │ ├── check.dat │ │ ├── debug1 │ │ ├── debug2 │ │ ├── gck.npy │ │ ├── info_atom_d.dat │ │ └── orig_info_atom_d.dat │ ├── dpybind.cc │ ├── for_jihoon_should_test_atom_d.py │ └── gaunt.f90 ├── atomg │ ├── Makefile │ ├── assert.h │ ├── atom.cc │ ├── blas.h │ ├── complex.h │ ├── function.h │ ├── history.atom │ ├── mesh.h │ ├── out.cix │ ├── parser.h │ └── util.h ├── ctqmc.py ├── ctqmc │ ├── Makefile │ ├── SMatrix1.cc │ ├── assert.h │ ├── bathp.h │ ├── bcast.h │ ├── cix_compress.py │ ├── common.h │ ├── complex.h │ ├── create_status.py │ ├── ctqmc.cc │ ├── hb1.h │ ├── inout.h │ ├── intervals.h │ ├── local.h │ ├── logging.h │ ├── matrixm.h │ ├── mpi.h │ ├── number.h │ ├── operators.h │ ├── random.h │ ├── romberg.h │ ├── sblas.h │ ├── segment.h │ ├── sfunction.h │ ├── smesh.h │ ├── state.h │ ├── stateim.h │ ├── sutil.h │ ├── svdfunc.h │ ├── tanmesh.h │ ├── timer.h │ └── zeroin.h ├── fort │ ├── Makefile │ ├── brd.f90 │ ├── krams.f90 │ ├── ldau.f90 │ ├── libinalg.f90 │ ├── mod_clebsch.f90 │ └── strns.f90 ├── link │ ├── README │ └── link.py ├── maxent_source │ ├── Makefile │ ├── cputim.c │ ├── doc │ │ ├── Jarrel_maxent.pdf │ │ ├── PadeImproved.pdf │ │ ├── pade.aux │ │ ├── pade.log │ │ ├── pade.out │ │ ├── pade.pdf │ │ └── pade.tex │ ├── imaxent_run.py │ ├── maxent_routines.f90 │ ├── maxent_routines_OMP.f90 │ ├── maxent_run.py │ ├── maxentropy.py │ ├── original_maxentropy.f90 │ ├── test1 │ │ ├── Gc │ │ ├── Sig.average │ │ ├── Sig.out │ │ ├── dos.out │ │ ├── dos.out.0 │ │ ├── dos.out.1 │ │ ├── dos.out.2 │ │ ├── dos.out.3 │ │ ├── dos.out.4 │ │ ├── dos_0 │ │ ├── dos_1 │ │ ├── dos_2 │ │ ├── dos_3 │ │ ├── dosn │ │ ├── gt0.0 │ │ ├── gt0.1 │ │ ├── gt0.2 │ │ ├── gt0.3 │ │ ├── gt0.4 │ │ ├── gtn │ │ ├── gtn.0 │ │ ├── gtn.1 │ │ ├── gtn.2 │ │ ├── gtn.3 │ │ ├── gtn.4 │ │ ├── maxent_params.dat │ │ ├── sig.0 │ │ ├── sig.1 │ │ ├── sig.2 │ │ ├── sig.3 │ │ └── sig.4 │ ├── test2 │ │ ├── DOS_U_1.0 │ │ ├── DOS_U_2.0 │ │ ├── DOS_U_2.4i │ │ ├── DOS_U_2.4m │ │ ├── DOS_U_3.0 │ │ ├── Sig.out_U_1.0 │ │ ├── Sig.out_U_2.0 │ │ ├── Sig.out_U_2.4i │ │ ├── Sig.out_U_2.4m │ │ ├── Sig.out_U_3.0 │ │ ├── maxentropy.py │ │ └── sig.pade │ ├── test3 │ │ ├── Augtau_nonint.dat │ │ ├── dos.out │ │ ├── dos_0 │ │ ├── dos_1 │ │ ├── dos_2 │ │ ├── dos_3 │ │ ├── dos_4 │ │ ├── dos_5 │ │ ├── dos_6 │ │ ├── gtn │ │ └── maxentropy.py │ ├── test4 │ │ ├── Gf.out_T_0.005 │ │ ├── Gf.out_T_0.1875 │ │ ├── Gr_T_0.005 │ │ ├── Gr_T_0.1875 │ │ ├── dos.out │ │ ├── dos.pade │ │ ├── dos_0 │ │ ├── dos_1 │ │ ├── dos_10 │ │ ├── dos_11 │ │ ├── dos_12 │ │ ├── dos_13 │ │ ├── dos_14 │ │ ├── dos_15 │ │ ├── dos_2 │ │ ├── dos_3 │ │ ├── dos_4 │ │ ├── dos_5 │ │ ├── dos_6 │ │ ├── dos_7 │ │ ├── dos_8 │ │ ├── dos_9 │ │ ├── gtn │ │ ├── maxentropy.py │ │ └── pade.corrected │ └── test8 │ │ ├── Augtau_U_0.dat │ │ ├── Augtau_U_1.0 │ │ ├── Augtau_U_2.0 │ │ ├── Augtau_U_2.4i │ │ ├── Augtau_U_2.4m │ │ ├── Augtau_U_3.0 │ │ ├── Augtau_U_5.dat │ │ ├── Ax │ │ ├── FeAsAugtau_U_5.0 │ │ ├── Gm │ │ ├── Gt_interpolated │ │ ├── Pade_U_0.0 │ │ ├── Pade_U_1.0 │ │ ├── Pade_U_2.0 │ │ ├── Pade_U_2.4m │ │ ├── Pade_U_3.0 │ │ ├── dos.out │ │ ├── dos.pade │ │ ├── dos_0 │ │ ├── dos_1 │ │ ├── dos_10 │ │ ├── dos_11 │ │ ├── dos_12 │ │ ├── dos_13 │ │ ├── dos_14 │ │ ├── dos_2 │ │ ├── dos_3 │ │ ├── dos_4 │ │ ├── dos_5 │ │ ├── dos_6 │ │ ├── dos_7 │ │ ├── dos_8 │ │ ├── dos_9 │ │ ├── gtn │ │ ├── maxentropy.py │ │ └── pade.corrected ├── oca.py └── skrams │ ├── Makefile │ ├── assert.h │ ├── complex.h │ ├── function.h │ ├── mesh.h │ ├── skrams.cc │ ├── skramsn.cc │ └── util.h ├── includes ├── ._pcg ├── blitz │ ├── ._array-impl.h │ ├── ._memblock.cc │ ├── ._memblock.h │ ├── ._range.cc │ ├── ._tm2fastiter.h │ ├── ._tv2fastiter.h │ ├── array-impl.h │ ├── array.cc │ ├── array.h │ ├── array │ │ ├── ._fastiter.h │ │ ├── asexpr.cc │ │ ├── asexpr.h │ │ ├── bops.cc │ │ ├── cartesian.h │ │ ├── cgsolve.h │ │ ├── complex.cc │ │ ├── convolve.cc │ │ ├── convolve.h │ │ ├── cycle.cc │ │ ├── domain.h │ │ ├── et.h │ │ ├── expr.cc │ │ ├── expr.h │ │ ├── fastiter.h │ │ ├── funcs.h │ │ ├── functorExpr.h │ │ ├── geometry.h │ │ ├── indirect.h │ │ ├── interlace.cc │ │ ├── io.cc │ │ ├── iter.h │ │ ├── map.h │ │ ├── methods.cc │ │ ├── misc.cc │ │ ├── multi.h │ │ ├── newet-macros.h │ │ ├── newet.h │ │ ├── ops.cc │ │ ├── ops.h │ │ ├── reduce.cc │ │ ├── reduce.h │ │ ├── resize.cc │ │ ├── shape.h │ │ ├── slice.h │ │ ├── slicing.cc │ │ ├── stencil-classes.cc │ │ ├── stencil-et-macros.h │ │ ├── stencil-et.h │ │ ├── stencilops.h │ │ ├── stencils.cc │ │ ├── stencils.h │ │ ├── storage.h │ │ ├── uops.cc │ │ ├── where.h │ │ └── zip.h │ ├── bench.cc │ ├── bench.h │ ├── benchext.cc │ ├── benchext.h │ ├── blitz.h │ ├── bounds.h │ ├── bzconfig.h │ ├── bzdebug.h │ ├── compiler.h │ ├── constpointerstack.h │ ├── et-forward.h │ ├── etbase.h │ ├── funcs.h │ ├── globeval.cc │ ├── indexexpr.h │ ├── indexmap-forward.h │ ├── levicivita.h │ ├── limits-hack.h │ ├── listinit.h │ ├── matbops.h │ ├── mathfunc.h │ ├── matuops.h │ ├── memblock.cc │ ├── memblock.h │ ├── meta │ │ ├── dot.h │ │ ├── matassign.h │ │ ├── matmat.h │ │ ├── matvec.h │ │ ├── metaprog.h │ │ ├── product.h │ │ ├── sum.h │ │ └── vecassign.h │ ├── minmax.h │ ├── numinquire.h │ ├── numtrait.h │ ├── ops.h │ ├── prettyprint.h │ ├── promote-old.h │ ├── promote.h │ ├── range.cc │ ├── range.h │ ├── ranks.h │ ├── reduce.h │ ├── shapecheck.h │ ├── simdtypes.h │ ├── tau.h │ ├── timer.h │ ├── tinymat2.cc │ ├── tinymat2.h │ ├── tinymat2io.cc │ ├── tinyvec2.cc │ ├── tinyvec2.h │ ├── tinyvec2io.cc │ ├── tm2fastiter.h │ ├── tmevaluate.h │ ├── traversal.cc │ ├── traversal.h │ ├── tuning.h │ ├── tv2fastiter.h │ ├── tvcross.h │ ├── tvecglobs.h │ ├── tvevaluate.h │ ├── update.h │ ├── vecbfn.cc │ ├── vecbops.cc │ ├── vecuops.cc │ ├── vecwhere.cc │ └── wrap-climits.h ├── pcg │ ├── ._pcg_extras.hpp │ ├── ._pcg_random.hpp │ ├── ._pcg_uint128.hpp │ ├── pcg_extras.hpp │ ├── pcg_random.hpp │ └── pcg_uint128.hpp └── pybind11 │ ├── attr.h │ ├── buffer_info.h │ ├── cast.h │ ├── chrono.h │ ├── common.h │ ├── complex.h │ ├── detail │ ├── class.h │ ├── common.h │ ├── descr.h │ ├── init.h │ ├── internals.h │ ├── type_caster_base.h │ └── typeid.h │ ├── eigen.h │ ├── eigen │ ├── matrix.h │ └── tensor.h │ ├── embed.h │ ├── eval.h │ ├── functional.h │ ├── gil.h │ ├── iostream.h │ ├── numpy.h │ ├── operators.h │ ├── options.h │ ├── pybind11.h │ ├── pytypes.h │ ├── stl.h │ ├── stl │ └── filesystem.h │ └── stl_bind.h ├── magnetSusc ├── README ├── dmft_bubble │ ├── Makefile │ ├── cputim.c │ ├── dmft_real_bubble.f90 │ ├── greenk.f90 │ ├── klist.f90 │ ├── linlogm.f90 │ ├── suscept.in │ └── utils.f90 ├── dmftgk │ ├── Makefile │ ├── README │ ├── dmftgk.f90 │ ├── dmftgke.in │ ├── dmftgki.in │ ├── eigsys.f90 │ ├── mod_mpi.FPP │ ├── selfenergy.f90 │ └── zinv.f90 ├── doc │ ├── FindBogolubov.pdf │ ├── FindBogolubov.tex │ └── TwoParticleVertexNotes.pdf └── python │ ├── BCS.py │ ├── BCSplot.py │ ├── Elliashberg.py │ ├── LinLogMesh.py │ ├── PlotBCS.py │ ├── PlotSq.py │ ├── Suscept.py │ ├── Suscept_LB.py │ ├── fsplot.py │ ├── klist2_generate.py │ ├── klist_generate.py │ ├── qlist_generate.py │ ├── unfold.py │ └── unfold2.py ├── optics ├── Makefile ├── README.txt ├── eigsys.f90 ├── interpolate.f90 ├── matrix_element │ ├── Makefile │ ├── Makefile.orig │ ├── abc.f │ ├── angle.f │ ├── atpar_op.f │ ├── case.inxop │ ├── cputim.c │ ├── cputim_aix.f │ ├── cputim_generic.c │ ├── cputim_macg4.f │ ├── cputim_nec.f │ ├── cputim_sgi.c │ ├── difflist │ ├── difflist_orig │ ├── dvbes1.f │ ├── errclr.f │ ├── errflg.f │ ├── gtfnam.f │ ├── harmon.f │ ├── latgen.f │ ├── lomain_op.frc │ ├── mmatcv.f │ ├── mmatrix.f │ ├── modules.frc │ ├── momradintc.f │ ├── opmain.f │ ├── outerr.f │ ├── outmat.f │ ├── outmatABZ.f │ ├── outwin.f │ ├── param.inc_c │ ├── param.inc_r │ ├── planew.frc │ ├── planew_old.frc │ ├── radint.f │ ├── rint13.f │ ├── rintuout.f │ ├── rotate.f │ ├── sph-UP.frc │ ├── sph-UPcor.frc │ ├── sphbes.f │ ├── sym.f │ ├── symop.f │ └── ylm.f ├── mod_mpi.FPP ├── optmain.f90 └── selfenergy.f90 ├── phonon ├── plot_phonons.py └── plot_phonons_character.py ├── putils ├── MMoment │ ├── MagneticMoment.py │ ├── Makefile │ ├── Wigner.py │ ├── latgen2.f90 │ ├── local2global.py │ └── transformations.py ├── RXS │ ├── RXS.py │ ├── core_hole.py │ ├── scattering.py │ ├── struct1.py │ └── thompson.py ├── XCscreen │ ├── CmpSlaterInt.py │ ├── Makefile │ ├── Makefile.in │ ├── gpoint.f90 │ ├── readCharge.f90 │ ├── readCharge2.f90 │ ├── readIndmfl.py │ ├── struct1.py │ ├── totalCharge.py │ ├── ylm.f90 │ └── yw_excor.f90 ├── akplt │ ├── Makefile │ └── cakw.cc ├── findDiagonal │ ├── find3dRotation.py │ ├── find5dRotation.py │ └── findRot.py ├── local_axes │ ├── Makefile │ └── w2k_nn.f90 └── wavef │ ├── Makefile │ ├── readCore.py │ ├── w2k_atpar.f90 │ └── wavef.py ├── python ├── ._saverage.py ├── 2D_klist.py ├── 2D_kplot.py ├── FSconvert.py ├── analizeInfo.py ├── brod.py ├── bz.py ├── chemicalP.py ├── clean_Titan_run.py ├── clean_dmft.py ├── cmpEimp.py ├── cmpEimp2.py ├── convert_processes.py ├── copy_to_database.py ├── createDMFprefix.py ├── createW2kmachinef.py ├── cubic_harmonics.py ├── dclean.py ├── dmft_copy.py ├── dmftgk.py ├── equal_projector.py ├── extractInfo.py ├── fat_coh.py ├── fat_fsplot.py ├── findEF.py ├── findNbands.py ├── force2vasp.py ├── force_stop_conditon.py ├── gaumesh.py ├── gwienfile.py ├── hb1_sig.py ├── imp2lattc.py ├── indmffile.py ├── init_dmft.py ├── init_proj.py ├── klist_gen.py ├── magnetcoh.py ├── makplot.py ├── mergeopt.py ├── old │ ├── cmp_U.py │ ├── struct1.py │ └── wienfile.py ├── plt_akplot.py ├── 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