Dataset for "Antiferro octupolar order in the 5d1 double perovskiteSr2MgReO6 and its spectroscopic signatures"

The dataset contains input/output files for Sr2MgReO6 with 1. cubic-undistorted structure (labelled "cAFM")2. Tetragonally distorted 300K structure (labelled "AFO")more specifically, each folder contains - Input/output files of DFT+DMFT in Hubbard-I approximation (Wien2k+TRIQS) - Input/output files of Intersite Exchange Interactions (IEI) calculations (Wien2k+TRIQS+MagInt)- Input/output files of Mean Field calculations (McPhase)