Phonon related functions
In sisl phonon calculations are relying on routines specific for phonons. For instance density of states calculations from phonon eigenvalues and other quantities.
This module implements the necessary tools required for calculating DOS, PDOS, group-velocities and real-space displacements.
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Calculate the density of modes (DOS) for a set of energies, E, with a distribution function |
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Calculate the projected density of modes (PDOS) onto each each atom and direction for a set of energies, E, with a distribution function |
Supporting classes
Certain classes aid in the usage of the above methods by implementing them using automatic arguments.
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Coefficients describing some physical quantity related to phonons |
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A mode describing a physical quantity related to phonons |
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A mode describing a physical quantity related to phonons, with associated coefficients of the mode |
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Eigenvalues of phonon modes, no eigenmodes retained |
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Eigenvectors of phonon modes, no eigenvalues retained |
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Eigenmodes of phonons with eigenvectors and eigenvalues. |