Normal-Mode Phonon Calculation

These tutorials demonstrate how to perform a energy-scaled normal mode phonon calculation using PyEPFD and Qbox.

• 1.2.1 Phonon Calculation: Displacing the Atoms along Normal Modes.
• 1.2.2 Preparing Qbox Input Files from the XYZ file with Displaced Coordinates
• 1.2.3 Post-processing Qbox Outputs to compute dynamical matrix.
• 1.2.4 Calculating Infra-Red (IR) Spectrum