Phonopy Spectroscopy Tutorials

Benzene Derivatives

In this tutorial, we compare simulated IR spectra of benzene and several derivatives to high-quality gas-phase spectra from the NIST Chemistry WebBook.

α-SiO2

In this tutorial, we perform a detailed simulation of the infrared (IR) and Raman spectra of α-SiO2 (quartz) in the P3221 spacegroup.

Test

In this tutorial, we are checking that a Jupyter Notebook is compiled correctly.