BAND: Calculation of phonon dispersion curves and related thermodynamic properties

Atoms vibrate about their equilibrium positions, giving rise to lattice vibrations called phonons. Band can calculate phonon dispersion curves within standard harmonic theory, implemented with a finite difference method. Within the harmonic approximation we can calculate the partition function and from that thermodynamic properties such as the specific heat and the free energy. This implementation can also handle 1D an 2D periodic systems.

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