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Interpretation of vibrational inelastic neutron scattering spectra of complexsystems is frequently reliant on accompanying simulations from theoreticalmodels. Ab-initio codes can routinely generate force constants, but additionalsteps are required for direct comparison to experimental spectra. On modernspectrometers this is a computationally expensive task due to the large datavolumes collected. In addition, workflows are frequently cumbersome as thesimulation software and experimental data analysis software often do not easilyinterface to each other. Here a new package, Euphonic, is presented. Euphonicis a robust, easy to use and computationally efficient tool designed to beintegrated into experimental software and able to interface directly with theforce constant matrix output of ab-initio codes.

Euphonic: inelastic neutron scattering simulations from force constants and visualisation tools for phonon properties