Questions tagged [phonopy]

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

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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.
5
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How can I find primitive axis for any bulk or 2D (monolayer) material

I am doing DFPT calculations using VASP+Phonopy. To plot phonon band structure, I need a band.conf file in which we need to ...
4
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How to correct units in the band.yaml file of QE, to band.yaml of VASP

I see from the phonopy web page 1 that the physical unit systems used for the calculators are different for different codes 1. On the same page, it is mentioned that "For these sets of physical ...