DOI: 10.17617/3.btyvyp
title: Coherent cellular dynamical mean-field theory: a real-space quantum embedding approach to disorder in strongly correlated electron systems

description: **Supplemental data for manuscript:** Coherent cellular dynamical mean-field theory: a real-space quantum embedding approach to disorder in strongly correlated electron systems
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### **Authors:** Patrick Tscheppe, Marcel Klett, Henri Menke, Sabine Andergassen, Niklas Enderlein, Philipp Hansmann, and Thomas Schäfer
#### **Arxiv:** 2503.10364


Description of the files
---------------------
Each zip file contains the data analyzed in the respective figure shown in the manuscript.

* *Figures 2, 3, 9, 11:* disorder averaged real-frequency Green function data. The imaginary offset can be reduced by analytic continuation.
* *Figures 6 and 7:* disorder averaged Matsubara Green function data
* *Figure 8:* Matsubara Green functions for each configuration of the disorder potential

Most files are stored in HDF5 format (see https://docs.h5py.org/en/stable/), with the exception of the 1x1 BEB quantities in figure 3, which are stored using python's shelve module (https://docs.python.org/3/library/shelve.html).

Naming conventions
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* *Figure 2:* all files follow the format `"HALF-FILLING-N_cxN_c-W#-c0.5-beta10.para.h5"`, where N_c denotes the linear cluster size and the number # following W is the diagonal disorder strength
* *Figure 3:* single site BEB results follow the format `"BEB-1x1-W#-t1.01.0-c0.5-beta10.para"`, where the number # following W is the diagonal disorder strength. 4x4 cluster data follows the format `"BEB_2d-4x4site.c0.50-W#-tAA1.00-tAB0.50-tBB1.00.U0.00-beta10.00-size4x4-n1.00.para.h5"`.
* *Figure 6:* purely diagonal disorder files follow the format `"INT-2x2-U#-W#-c0.5-beta10.N_cxN_csite.para.h5"`, where N_c denotes the linear cluster size and the number # following U is the interaction strength and the number # following W is the diagonal disorder strength. For purely offdiagonal disorder all files follow the format `"ODD_MOTT-2x2site.c0.50-W0.00-tAA1.37-tAB0.20-tBB1.37.U#-beta10.00-size2x2-n1.00.para.h5"`, where the number # following U is the interaction strength.
* *Figures 7 and 8:* all files follow the format `"AF_RESPONSE-2x2site.c0.50-W#-tAA#-tAB#-tBB#.U#-beta#-size2x2-n1.00.af-B#.h5"`, where the number # following W denotes the diagonal disorder strength, the numbers # following tAA, tAB, tBB denote the hopping parameters, the number # following U is the interaction strength, the number # following beta the inverse temperature, and the number # following B is a small applied magnetic field.
* *Figure 9:* all files follow the format `"1D_#site-c0.50-W4.00-tAA1.00-tAB1.00-tBB1.00.para"`, where the number of sites is denoted by #
* *Figures 10 and 11:* all files follow the format `"BEB_2d-2x2site.c0.50-W#-tAA1.00-tAB1.00-tBB1.00.U0.00-beta10.00-size2x2-n1.00.para.h5"`, where the number # following W denotes the diagonal disorder strength.

Reading the files
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The HDF5 Green function data can be accessed using the keys `[results]['Gloc']`. Results for the last four iterations are saved (n0 to n3), and the final iteration is indexed by `['Gloc_n3']`. Additional data about the run parameters can be found in `['params']`.
The Green function cluster components are indexed as `G_loc[i,j]`, where i, j are the cluster sites labeled as in Fig. 4 in the manuscript. For BEB Green functions i and j label the direct product space of cluster sites $\otimes$ component indices. Additionally, for figures 7, 8 and 11 the Green functions possess a spin structure to account for the magnetic order. Here the indices label the direct product spin $\otimes$ cluster sites $\otimes$ components.