Data for: Correlated electronic structure and local spin in lead-copper-vanadium-bromine apatite: a DMFT studydoi:10.48788/DVUA/UTUHLTDataverseUA2025-12-181Sukhenko Ihor, 2025, "Data for: Correlated electronic structure and local spin in lead-copper-vanadium-bromine apatite: a DMFT study", https://doi.org/10.48788/DVUA/UTUHLT, DataverseUA, V1Data for: Correlated electronic structure and local spin in lead-copper-vanadium-bromine apatite: a DMFT studydoi:10.48788/DVUA/UTUHLTSukhenko IhorKurdyumov Institute for Metal Physics2023.03/0242 (0124U003949)DataverseUASukhenko IhorSukhenko, Ihor2025-12-17PhysicsThis dataset contains the input files, output data, and post-processing scripts associated with the DFT+DMFT study of the copper-substituted lead–vanadium bromine apatite Pb9Cu(VO4)6Br2 (arXiv:2511.04475). It supports the analysis of correlated electronic structure, spectral properties, and local spin dynamics over a range of temperatures and band fillings. The dft_input directory includes Quantum ESPRESSO and Wannier90 input files used to construct the non-interacting electronic structure and low-energy Wannier Hamiltonians. The dmft-config-files folder contains DFT+DMFT configuration files for calculations performed with the TRIQS/solid_dmft framework. Raw outputs of the DMFT calculations are stored in dmft-output-files. Processed results, such as observables and the analytically continued spectral funciton, are collected in dmft-results. The plots directory provides the scripts used to generate the figures in the manuscript.The data were generated using a combined density functional theory and dynamical mean-field theory (DFT+DMFT) approach. Density functional theory calculations were performed using a plane-wave pseudopotential method, followed by a Wannier90 construction of a Cu-centered low-energy subspace. A two-orbital model capturing the relevant Cu 3d states was employed for the correlated calculations. Local electronic correlations were treated within single-site DMFT using a rotationally invariant Hubbard–Kanamori interaction with parameters U and J as specified in the associated publication. The impurity problem was solved using a continuous-time quantum Monte Carlo (CT-HYB) solver. Calculations were carried out for multiple temperatures and a broad range of band fillings by adjusting the chemical potential self-consistently. Imaginary-frequency Green’s functions, self-energies, and local spin correlation functions were obtained directly from the DMFT simulations. Selected quantities, including spectral functions and correlated band structures, were derived via analytical continuation of the self-energy using maximum entropy methods. All post-processing and visualization were performed using custom Python scripts based on the TRIQS and solid_dmft libraries.Sukhenko, I., & Karbivskyy, V. (2025). Correlated electronic structure and local spin in lead-copper-vanadium-bromine apatite: a DMFT study (Version 2). arXiv.2511.04475Sukhenko, I., & Karbivskyy, V. (2025). Correlated electronic structure and local spin in lead-copper-vanadium-bromine apatite: a DMFT study (Version 2). arXiv.Aw-Gf-maxent.pyScript to produce analytically continued spectral functions.text/x-pythonH_imp0.txtHamiltonian of the problem. text/plainBr_ONCV_PBE_sr.upfBr pseudopotentialapplication/octet-streamCu_ONCV_PBE_sr.upfCu pseudopotentialapplication/octet-streamO_ONCV_PBE_sr.upfO pseudopotentialapplication/octet-streamPbCuVBrAp.nscf.inQE nscf input filetext/plainPbCuVBrAp.pw2wan.inQE pw2wannier90 input filetext/plainPbCuVBrAp.scf.inQE scf input filetext/plainPbCuVBrAp.winWannier90 input fileapplication/octet-streamPb_ONCV_PBE_sr.upfPb pseudopotentialapplication/octet-streamV_ONCV_PBE_sr.upfV pseudopotentialapplication/octet-streamdmft_config_fm_2.46.tomlDMFT config file. T = 100K, n = 2.46.application/octet-streamdmft_config_fm_2.52.tomlDMFT config file. T = 100K, n = 2.52.application/octet-streamdmft_config_fm_2.58.tomlDMFT config file. T = 100K, n = 2.58.application/octet-streamdmft_config_fm_2.64.tomlDMFT config file. T = 100K, n = 2.64.application/octet-streamdmft_config_fm_2.7.tomlDMFT config file. T = 100K, n = 2.7.application/octet-streamdmft_config_fm_2.82.tomlDMFT config file. T = 100K, n = 2.82.application/octet-streamdmft_config_fm_2.88.tomlDMFT config file. T = 100K, n = 2.88.application/octet-streamdmft_config_fm_2.94.tomlDMFT config file. T = 100K, n = 2.94.application/octet-streamdmft_config_fm_20K_2.46.tomlDMFT config file. T = 20K, n = 2.46.application/octet-streamdmft_config_fm_20K_2.58.tomlDMFT config file. T = 20K, n = 2.58.application/octet-streamdmft_config_fm_20K_2.7.tomlDMFT config file. T = 20K, n = 2.7.application/octet-streamdmft_config_fm_20K_2.82.tomlDMFT config file. T = 20K, n = 2.82.application/octet-streamdmft_config_fm_20K_2.94.tomlDMFT config file. T = 20K, n = 2.94.application/octet-streamdmft_config_fm_20K_3.0.tomlDMFT config file. T = 20K, n = 3.0.application/octet-streamdmft_config_fm_20K_3.06.tomlDMFT config file. T = 20K, n = 3.06.application/octet-streamdmft_config_fm_20K_3.18.tomlDMFT config file. T = 20K, n = 3.18.application/octet-streamdmft_config_fm_20K_3.3.tomlDMFT config file. T = 20K, n = 3.3.application/octet-streamdmft_config_fm_20K_3.42.tomlDMFT config file. T = 20K, n = 3.42.application/octet-streamdmft_config_fm_20K_3.54.tomlDMFT config file. T = 20K, n = 3.54.application/octet-streamdmft_config_fm_3.0.tomlDMFT config file. T = 100K, n = 3.0.application/octet-streamdmft_config_fm_3.06.tomlDMFT config file. T = 100K, n = 3.06.application/octet-streamdmft_config_fm_3.12.tomlDMFT config file. T = 100K, n = 3.12.application/octet-streamdmft_config_fm_3.18.tomlDMFT config file. T = 100K, n = 3.18.application/octet-streamdmft_config_fm_3.24.tomlDMFT config file. T = 100K, n = 3.24.application/octet-streamdmft_config_fm_3.3.tomlDMFT config file. T = 100K, n = 3.3.application/octet-streamdmft_config_fm_3.36.tomlDMFT config file. T = 100K, n = 3.36.application/octet-streamdmft_config_fm_3.42.tomlDMFT config file. T = 100K, n = 3.42.application/octet-streamdmft_config_fm_3.48.tomlDMFT config file. T = 100K, n = 3.48.application/octet-streamdmft_config_fm_3.54.tomlDMFT config file. T = 100K, n = 3.54.application/octet-streamdmft_config_fm_60K_2.46.tomlDMFT config file. T = 60K, n = 2.46.application/octet-streamdmft_config_fm_60K_2.58.tomlDMFT config file. T = 60K, n = 2.58.application/octet-streamdmft_config_fm_60K_2.7.tomlDMFT config file. T = 60K, n = 2.7.application/octet-streamdmft_config_fm_60K_2.82.tomlDMFT config file. T = 60K, n = 2.82.application/octet-streamdmft_config_fm_60K_2.94.tomlDMFT config file. T = 60K, n = 2.94.application/octet-streamdmft_config_fm_60K_3.0.tomlDMFT config file. T = 60K, n = 3.0.application/octet-streamdmft_config_fm_60K_3.06.tomlDMFT config file. T = 60K, n = 3.06.application/octet-streamdmft_config_fm_60K_3.18.tomlDMFT config file. T = 60K, n = 3.18.application/octet-streamdmft_config_fm_60K_3.3.tomlDMFT config file. T = 60K, n = 3.3.application/octet-streamdmft_config_fm_60K_3.42.tomlDMFT config file. T = 60K, n = 3.42.application/octet-streamdmft_config_fm_60K_3.54.tomlDMFT config file. T = 60K, n = 3.54.application/octet-streamPbCuVBrAp.inp.inp file for the TRIQS DMFT calculation.application/octet-streamPbCuVBrAp_2_46.h5DFT data required for DMFT input. n = 2.46.application/x-hdf5PbCuVBrAp_2_52.h5DFT data required for DMFT input. n = 2.52.application/x-hdf5PbCuVBrAp_2_58.h5DFT data required for DMFT input. n = 2.58.application/x-hdf5PbCuVBrAp_2_64.h5DFT data required for DMFT input. n = 2.64.application/x-hdf5PbCuVBrAp_2_7.h5DFT data required for DMFT input. n = 2.7.application/x-hdf5PbCuVBrAp_2_76.h5DFT data required for DMFT input. n = 2.76.application/x-hdf5PbCuVBrAp_2_82.h5DFT data required for DMFT input. n = 2.82.application/x-hdf5PbCuVBrAp_2_88.h5DFT data required for DMFT input. n = 2.88.application/x-hdf5PbCuVBrAp_2_94.h5DFT data required for DMFT input. n = 2.94.application/x-hdf5PbCuVBrAp_2_96.h5DFT data required for DMFT input. n = 2.96.application/x-hdf5PbCuVBrAp_3_0.h5DFT data required for DMFT input. n = 3.0.application/x-hdf5PbCuVBrAp_3_06.h5DFT data required for DMFT input. n = 3.06.application/x-hdf5PbCuVBrAp_3_12.h5DFT data required for DMFT input. n = 3.12.application/x-hdf5PbCuVBrAp_3_18.h5DFT data required for DMFT input. n = 3.18.application/x-hdf5PbCuVBrAp_3_24.h5DFT data required for DMFT input. n = 3.24.application/x-hdf5PbCuVBrAp_3_3.h5DFT data required for DMFT input. n = 3.3.application/x-hdf5PbCuVBrAp_3_36.h5DFT data required for DMFT input. n = 3.36.application/x-hdf5PbCuVBrAp_3_42.h5DFT data required for DMFT input. n = 3.42.application/x-hdf5PbCuVBrAp_3_48.h5DFT data required for DMFT input. n = 3.48.application/x-hdf5PbCuVBrAp_3_54.h5DFT data required for DMFT input. n = 3.54.application/x-hdf5aw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_2.46.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_2_46.dmft.outTRIQS DMFT output file. application/octet-streamconv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_2.52.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_2_52.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_2.58.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_2_58.dmft.outTRIQS DMFT output file. application/octet-streamconv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_2.64.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_2_64.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_2.7.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_2_7.dmft.outTRIQS DMFT output file. application/octet-streamconv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_2.76.tomlDMFT config file.application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_2_76.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_2.82.tomlDMFT config file. application/octet-streamH_imp0-1.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_2_82.dmft.outTRIQS DMFT output file. application/octet-streamconv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_2.88.tomlDMFT config file. application/octet-streamH_imp0-1.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_2_88.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_2.94.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_2_94.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_3.0.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_3_0.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_3.06.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_3_06.dmft.outTRIQS DMFT output file. application/octet-streamconv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_3.12.tomlDMFT config file. application/octet-streamH_imp0-1.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_3_12.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_3.18.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_3_18.dmft.outTRIQS DMFT output file. application/octet-streamconv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_3.24.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_3_24.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_3.3.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_3_3.dmft.outTRIQS DMFT output file. application/octet-streamconv_imp0.datConvergence data.text/x-fixed-fielddmft_config_fm_3.36.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_3_36.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_3.42.tomlDMFT config file. application/octet-streamH_imp0-1.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_3_42.dmft.outTRIQS DMFT output file. application/octet-streamconv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_3.48.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_3_48.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_3.54.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_100K_fm_3_54.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function.image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data.text/x-fixed-fielddmft_config_fm_20K_2.46.tomlDMFT config file.application/octet-streamH_imp0.txtHamiltonian of the problem.text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down.text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up.text/x-fixed-fieldPbCuVBrAp_20K_fm_2_46.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function.image/pngAw_store.h5Data for the analytically continued spectral function.application/x-hdf5conv_imp0.datConvergence data.text/x-fixed-fielddmft_config_fm_20K_2.58.tomlDMFT config file.application/octet-streamH_imp0.txtHamiltonian of the problem.text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down.text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up.text/x-fixed-fieldPbCuVBrAp_20K_fm_2_58.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function.image/pngAw_store.h5Data for the analytically continued spectral function.application/x-hdf5conv_imp0.datConvergence data.text/x-fixed-fielddmft_config_fm_20K_2.7.tomlDMFT config file.application/octet-streamH_imp0.txtHamiltonian of the problem.text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down.text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up.text/x-fixed-fieldPbCuVBrAp_20K_fm_2_7.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function.image/pngAw_store.h5Data for the analytically continued spectral function.application/x-hdf5conv_imp0.datConvergence data.text/x-fixed-fielddmft_config_fm_20K_2.82.tomlDMFT config file.application/octet-streamH_imp0.txtHamiltonian of the problem.text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down.text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up.text/x-fixed-fieldPbCuVBrAp_20K_fm_2_82.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function.image/pngAw_store.h5Data for the analytically continued spectral function.application/x-hdf5conv_imp0.datConvergence data.text/x-fixed-fielddmft_config_fm_20K_2.94.tomlDMFT config file.application/octet-streamH_imp0.txtHamiltonian of the problem.text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down.text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up.text/x-fixed-fieldPbCuVBrAp_20K_fm_2_94.dmft.outTRIQS DMFT output file.application/octet-streamAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_20K_3.0.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem.text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down.text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up.text/x-fixed-fieldPbCuVBrAp_20K_fm_3_0.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_20K_3.06.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_20K_fm_3_06.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_20K_3.18.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_20K_fm_3_18.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_20K_3.3.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_20K_fm_3_3.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_20K_3.42.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_20K_fm_3_42.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_20K_3.54.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_20K_fm_3_54.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_2.46.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_2_46.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_2.58.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_2_58.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_2.7.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_2_7.dmft.outTRIQS DMFT output file.application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_2.82.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_2_82.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_2.94.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_2_94.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_3.0.tomlDMFT config file. application/octet-streamobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_3_0.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_3.06.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_3_06.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_3.18.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_3_18.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_3.3.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_3_3.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_3.42.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_3_42.dmft.outTRIQS DMFT output file. application/octet-streamaw-maxent-gf.pngPreview plot of the analytically continued spectral function. image/pngAw_store.h5Data for the analytically continued spectral function. application/x-hdf5conv_imp0.datConvergence data. text/x-fixed-fielddmft_config_fm_60K_3.54.tomlDMFT config file. application/octet-streamH_imp0.txtHamiltonian of the problem. text/plainobservables_imp0_down.datObservables resulting from the DMFT calculation. Spin-down. text/x-fixed-fieldobservables_imp0_up.datObservables resulting from the DMFT calculation. Spin-up. text/x-fixed-fieldPbCuVBrAp_60K_fm_3_54.dmft.outTRIQS DMFT output file. application/octet-streamAw-gf-all-3.pdfFig. 4.application/pdfAww-Gf.pyScript to produce Fig. 4. Uses analytically continued Green's functions. Uses 'Aw_store.h5' files from dmft-results folder.text/x-pythoncolormap.pyScript to produce Fig. 3.text/x-pythoncolormap2.pdfFig. 3.application/pdfgamma-chi-gigaplot.pyComputes Δχ (Eq. 9 from the paper) and produces Fig. 5. Uses data produced by Sigma-fit-av2.py.text/x-pythongammmaexp.pdfFig 5a.application/pdfIm-Sigma-Mats-all-norm.pdfFig. 2.application/pdfIm-Sigma-Mats-all.pdfFig. 2 (unnormalised).application/pdfIm-Sigma-Mats-everything.pyScript to produce Fig. 2.text/x-pythonoccs.pdfFig. 6.application/pdfoccs.pyScript to produce Fig. 6.text/x-pythonSigma-fit-av2.pyScript to fit Im Σ with an exponential function. Results used by gamma-chi-gigaplot.py.text/x-python