Distortion Analysis

This Python-based package seeks to accelerate analysis of distortions in crystals with in-house code and convenient wrappers for existing functions.

Notable Dependencies

• pymatgen
• phonopy
• pandas

Capabilities

• Extract & augment mode information (irreps, point group, multiplicity, polarity) from phonopy output files
• Generate phonon-modulated structures
• Generate series of interpolated structures along phonon modes