Hubbard dimer physics and the magnetostructural transition in the correlated cluster material Nb3Cl8 - supplementary data

These are the supplementary computational data to the linked preprint. Haraguchi_distortion_scan.zip includes inputs and outputs of DFT+U+V calculations using QE, studying the trimerization distortion observed by Haraguchi et al, corresponding to results of Fig.2 vary_dist_U_V.tar.gz includes the inputs and outputs of the DFT+U+V calculations that study the behavior of the system under changing U and V, providing results for Fig. 3. Scissoring_scan_different_U.zip includes inputs and outputs of DFT+DMFT calculations using QE and solid_dmft using atomic orbitals corresponding to results of Fig.5 trimerdmft.zip contains inputs and outputs of DFT+DMFT calculations, corresponding to the results of Fig. 4. See the README.txt for further information.