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First-principles phonon calculations with phonopy and phono3py

Description/Abstract:

Harmonic, quasi-harmonic, and anharmonic phonon properties of crystals are getting to be better predicted using first-principles phonon ...

Keyword:

Phonon calculation

Resource Type:

Article

Author:

Atsushi Togo

Date Uploaded:

01/02/2023

Date Modified:

19/03/2024