pyiron_atomistics.atomistics.master.phonopy

pyiron_atomistics.atomistics.master.phonopy#

Classes

PhonopyJob(project, job_name)

Phonopy wrapper for the calculation of free energy in the framework of quasi harmonic approximation.

PhonopyJobGenerator(master)

Thermal(temperatures, free_energies, entropy, cv)

Holds thermal properties that are the results of the phonopy calculation.