Energy and specific heat for J=7/2 magnetic crystals

Complementary data for the manuscript "Specific heat of Gd3+ and Eu2+ -based magnetic compounds" by D.J. Garcia, J. Sereni and A.A. Aligia[1]. We include the energy and specific heat for many magnetic lattices. The magnetic moment is S=7/2. Interactions are taken as Heisenberg-like H = Sum_{i,\delta} J_\delta S_i S_{i+\delta} and \delta is taken to consider first, second, and possibly more nearest neighbors. Interactions are either all FM or AF to keep the system non-frustrated. We take all |J_\delta|=1K unless otherwise stated. Computations are performed using quantum Monte Carlo (QMC) simulations from the ALPS libraries (“dirloop_sse” package) [2, 3]. Most calculations are done using 20^3 conventional unit cells. Directory name convention is as follows: fig*data/{Lattice Name}( {effective z}) , J_2 = ... , J_3 =... , K=... , L={size of the linear length} ) fig*data refers to data of the corresponding figure in reference [1]. Lattice names are BCC, Diamond, FCC, HCP, and SC with their classic meaning of Body-Centered Cubic, Face-centered cubic, Hexagonal close-packed, and simple cubic. LHc corresponds to a layered honeycomb lattice with three NN within the plane of the honeycomb layer and one above or below the layer in alternating sites. magnetic order is either ferromagnetic (FM) or antiferromagnetic (AF). effective z agrees with the number of neighbors when all J_\delta are equal. It is computed by increasing the considered neighbor radius. See [1]. The file SpecificHeatAndEnergy.tgz contains the raw data for all lattices in txt format. This version updates results with larger statistics. An ALPS example directory is also included. Finite size effects are almost negligible in these cases except for the antiferromagnetic simple cubic lattice ( SC_AF(6) ). [1] D. J. Garcia, J. G. Sereni, A. A. Aligia, "Specific heat of Gd3+ and Eu2+-based magnetic compounds", arXiv:2410.23519 [2] A. Albuquerque, F. Alet, P. Corboz, P. Dayal, A. Feiguin, S. Fuchs, L. Gamper, E. Gull, S. Gürtler, A. Honecker, R. Igarashi, M. Körner et al., The ALPS project release 1.3: Open- source software for strongly correlated systems, Journal of Magnetism and Magnetic Materials 310(2, Part 2), 1187 (2007), doi:https://doi.org/10.1016/j.jmmm.2006.10.304, Proceedings of the 17th International Conference on Magnetism. [3] B. Bauer, L. D. Carr, H. G. Evertz, A. Feiguin, J. Freire, S. Fuchs, L. Gamper, J. Gukelberger, E. Gull, S. Guertler, A. Hehn, R. Igarashi et al., The ALPS project release 2.0: open source software for strongly correlated systems, Journal of Statistical Mechanics: Theory and Experiment 2011(05), P05001 (2011), doi:10.1088/1742-5468/2011/05/P05001.