matdyn

Module to create input file to compute phonon dispersion at high-symmetry BZ path

Functions

matdyn_in()

Prepares input file for phonon band structure and eigenvectors.

matdyn.matdyn_in()

Prepares input file for phonon band structure and eigenvectors.

Parameters: - mpid (str): Materials ID. - compound (str): Chemical compound. - prefix2 (str): Prefix for file names.

Returns: Creates input file named matdyn-mpid-compound.in.