Questions tagged [phonopy]

Tag this when using the phonopy package for phonon calculations at harmonic and quasi-harmonic levels.

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Phonon density of states as a function of frequency vs energy

Lattice dynamics codes like Phonopy output density of states, $g_{(\omega)}$, as a function of frequency. Since $\int g_{(\omega)}d\omega$ is the number of states ...
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Calculating lattice thermal conductivity using Quantum ESPRESSO and phonopy

How should I calculate lattice thermal conductivity in Quantum ESPRESSO? I have installed phonopy. My Linux distribution is Ubuntu.
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Phonon Frequencies and Free Energy with respect to polymorphs

I have a material that can crystallize in either a cubic or tetragonal polymorph depending on the synthesis. I used DFPT in VASP and calculated the phonon band structures. I see that the cubic has all ...