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ESpinS: A program for classical Monte-Carlo simulations of spin systems

Published 29 Nov 2019 in physics.comp-ph and cond-mat.mtrl-sci | (1912.00793v2)

Abstract: We present \texttt{ESpinS} (Esfahan Spin Simulation) package to evaluate the thermodynamic properties of spin systems described by a spin model Hamiltonian. In addition to the Heisenberg exchange term, the spin Hamiltonian can contain interactions such as bi-quadratic, Dzyaloshinskii-Moriya, and single-ion anisotropy. By applying the classical Monte-Carlo simulation, \texttt{ESpinS} simulates the behavior of spin systems versus temperature. \texttt{ESpinS} ables to calculate the specific heat, susceptibility, staggered magnetization, energy histogram, fourth-order Binder cumulants, and the neutron scattering structure factor. Further, it can compute the user-defined magnetic order parameter i.e. summation of projection of spins on the user-defined directions and the physical quantities based on it. \texttt{ESpinS} works by either local update algorithm or parallel tempering algorithm. The latter feature is an appropriate option for considering the frustrated and spin glass magnetic systems. \texttt{ESpinS} is written in Fortran 90 and can be run in single or parallel mode. The package is freely available under the GPL license (see https://github.com/nafiserb/ESpinS ).

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