MaterialsAtlas Software and Tool

phono3py

phononsthermal-conductivityanharmonicforce-constantssoftware-toolsmaterials-science-software

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Companion to phonopy for phonon-phonon interactions, third-order force constants, anharmonic phonons, and lattice thermal conductivity from first-principles data.

Citation: phono3py. Materials science software/tool. https://phonopy.github.io/phono3py/

Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, community usage, and common computational/experimental materials workflows.

TypeSoftware and Tool

DomainAnharmonic phonons / thermal conductivity

LicenseBSD-3-Clause

Contributorsphonopy.github.io