Quantum spin solver near saturation: QS3
Description
We develop a program package named QS3 based on the (thick-restart) Lanczos method for analyzing spin-1/2 XXZ-type quantum spin models on spatially uniform/non-uniform lattices near fully polarized states, which can be mapped to dilute hardcore Bose systems. All calculations in QS3, including eigenvalue problems, expectation values for one/two-point spin operators, and static/dynamical spin structure factors, are performed in the symmetry-adapted bases specified by the number N↓ of down spins and the wave number k associated with the translational symmetry without using the bit representation for specifying spin configurations. Because of these treatments, QS3 can support large-scale quantum systems containing more than 1000 sites with dilute N↓. We show the benchmark results of QS3 for the low-energy excitation dispersion of the isotropic Heisenberg model on the 10 x 10 x 10 cubic lattice, the static and dynamical spin structure factors of the isotropic Heisenberg model on the 10 x 10 square lattice, and the open-MP parallelization efficiency on the supercomputer (Ohtaka) based on AMD Epyc 7702 installed at the Institute for the Solid State Physics (ISSP). Theoretical backgrounds and the user interface of QS3 are also described.