This data repository contains the original figures, numerical (raw) data, and plot scripts to reproduce the figures from the publication "Highly nonperturbative nature of the Mott metal-insulator transition: Two-particle vertex divergences in the coexistence region" at Physical Review B. The LaTeX source files of the preprint available on arXiv can be found at the TU gitlab repository.
The results were calculated with w2dynamics a continuous-time quantum Monte Carlo (QMC) solver.
Note: Some of the published plots are, on a purely visual level (no change to data at all), edited via graphic programs like gimp, ... . The main reason for that is the shape of the coexistence region, due to the difficulty to plot a colormap into the shape enclosed by the U_c1 and U_c2 lines, while the U_c lines are cut by vertex lines, and partly for the sake of convenience. The plot scripts produce all necessary plots from the calculated numerical data to get the published plots via simple graphic editing.
Folder structure:
*figure1:
*Fig1_paper.pdf: Plot from the paper
*Figure1.pdf: Output of script plotFig1.py
*plotFig1.py: python3 script to run via terminal - python3 plotFig1.py
*pm_div[1-5].dat: data files for vertex divergence lines of reference [Phys. Rev. B 94, 235108 (2016)]
*figure2:
*Fig2_paper.pdf: Plot from the paper
*plotFig2.tex: LaTex script to plot Figure 2 via TikZ
*figure3:
*Fig3_1_paper.pdf: Plot from the paper
*Fig3_2_paper.pdf: Plot from the paper
*Figure3a.pdf: Output of script plotFig3a.py
*Figure3b.pdf: Output of script plotFig3b.py
*plotFig3a.py: python3 script to run via terminal - python3 plotFig3a.py
*plotFig3b.py: python3 script to run via terminal - python3 plotFig3b.py
*figure4:
*Fig4_1_paper.pdf: Plot from the paper
*Fig4_2_paper.pdf: Plot from paper, overlapped Figure4b_HM.pdf and Figure4b_HA.pdf
*Figure4a.pdf: Output of script plotFig4a.py
*Figure4b_HM.pdf: Output of script plotFig4b_HM.py
*Figure4b_HA.pdf: Output of script plotFig4b_HA.py
*plotFig4a.py: python3 script to run via terminal - python3 plotFig4a.py
*plotFig4b_HM.py: python3 script to run via terminal - python3 plotFig4b_HM.py
*plotFig4b_HA.py: python3 script to run via terminal - python3 plotFig4b_HA.py
*figure5:
*Fig5_paper.pdf: Plot from the paper
*Figure5.pdf: Output of script plotFig5.py
*plotFig5.py: python3 script to run via terminal - python3 plotFig5.py
*figure6:
*Fig6_paper.pdf: Plot from the paper
*Figure6.pdf: Output of script plotFig6.py
*plotFig6.py: python3 script to run via terminal - python3 plotFig6.py
*figure7:
*Fig7_paper.pdf: Plot from the paper
*Figure7.pdf: Output of script plotFig7.py
*plotFig7_legend1.py: python3 script to run via terminal - python3 plotFig7_legend1.py
*plotFig7_legend2.py: python3 script to run via terminal - python3 plotFig7_legend2.py
*figure8:
*Fig8_paper.pdf: Plot from the paper, created by overlapping Figure8_metallic.pdf and Figure8_insulating.pdf
*Figure8_metallic.pdf: Output of script plotFig8_metallic.py
*Figure8_insulating.pdf: Output of script plotFig8_insulating.py
*plotFig8_metallic.py: python3 script to run via terminal - python3 plotFig8_metallic.py
*plotFig8_insulating.py: python3 script to run via terminal - python3 plotFig8_insulating.py
*AIM0.png: plot of the AIM vertex divergence lines from [Phys. Rev. B 97, 245136 (2018)]
*MIT_arrow.pdf: MIT T=0 point arrow indicator
*figure9:
*Fig9_paper.pdf: Plot from the paper
*Figure9.pdf: Output of script plotFig9.py
*plotFig9.py: python3 script to run via terminal - python3 plotFig9.py
*HM_Bethe_beta60_halfFilled_U2.46_2par-2021-07-02-Fri-18-06-25.hdf5: simulation data with imaginary eigenvalues
*figure10:
*Fig10_paper.pdf: Plot from the paper
*Figure10.pdf: Output of script plotFig1.py
*plotFig10.py: python3 script to run via terminal - python3 plotFig10.py
*figure11:
*Fig11_paper.pdf: Plot from the paper
*Figure11.pdf: Output of script plotFig11.py
*plotFig11.py: python3 script to run via terminal - python3 plotFig11.py
*figure12:
*Fig12_paper.pdf: Plot from the paper
*Figure12.pdf: Output of script plotFig12.py
*plotFig12.py: python3 script to run via terminal - python3 plotFig12.py
Following folders and data files are used by several plot scripts
*insulating_vertex_files:
simulation data and vertex files for the insulating side/coexistence region of the phase diagram made with superstate sampling.
*beta sub folders
*interaction U sub folders containing vertex files
*corresponding hdf5 simulation data files
*insulating_wormsampling_files:
simulation data and vertex files for the insulating side/coexistence region of the phase diagram made with worm sampling.
*beta sub folders
*interaction U sub folders containing vertex files
*corresponding hdf5 simulation data files
*metallic_vertex_files:
simulation data and vertex files for the metallic side/coexistence region of the phase diagram made with superstate sampling.
*beta sub folders
*interaction U sub folders containing vertex files
*corresponding hdf5 simulation data files
*Uc_data:
*Uc_points: data of phase transition points of our simulated temperatures
*Uc1_new.dat: fitted data of U_c1 points
*Uc2_new.dat: fitted data of U_c2 points
*Uc_new.dat: extracted data of U_c from [N. Blümer, Mott-Hubbard Metal-Insulator Transition and Optical Conductivity in High Dimensions, Ph.D. thesis, Universität Mainz (2002)]
*make_vertex_files2.py generates vertex files from superstate sampling hdf5 data (hdf5-files with name *2par* mark two-particle calculations)
*sus.py: postprocessing script to get susceptibilities from vertex files
*sus_map.py: postprocessing script to plot susceptibilities
*vert_fun.py: several functions for reading and postprocessing data used by the plot scripts. It refers to the already created folder structure of the vertex files: vertex folder -> beta folder -> interaction folder
*w2dyn_h5.py: postprocessing script to get susceptibilities from vertex files, including data generated via worm sampling
*fits.opj: origin lab file containing fits of the number of negative eigenvalues over beta and of U_c1(T), U_c(T) and U_c2(T)