PyKAPPA
PyKAPPA (Python Kit for Ab-initio Polarization and Phonon Analyses) provides a set of tools for the calculation of the Polarization and Phonon properties of materials from first principles using various computational frameworks such as ABACUS, Phonopy, PyATB, and SMODES. It aims to simplify and automate the process of data generation, analysis, and visualization for materials scientists and developers. These are some of the main features:
Aug 1, 2024
