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Vibrational Properties Tutorials

In the present section, we introduce the most common operations supported on our platform for performing vibrational properties computations on materials, implemented through the Density Functional Theory model.

Zero Point Energy

We review the procedure for computing the Zero Point Energy of crystalline samples in this tutorial.

Phonon Dispersion Curve and Density of States

We review the procedure for computing the vibrational phonon dispersion curve and Phonon Density of States of material samples in this tutorial.

Phonon Calculations with the Grid Method

This tutorial page explains how to calculate the Phonon Dispersion Curves and Phonon Density of States of materials, based on the Grid Method for the distributed computing of the lattice vibrational modes.