A Code Package to calculate thermodynamic properties of matter using phonon gas model (PGM).

Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community

Cij: Semiemperical thermal elasticity. Calculate high temperature thermal elasticity in Python.

Temperature Dependent Phonon Quasiparticle Dispersions of Complex Crystals from First Principles

A code for evolutionary optimization of PAW datasets especially for high-pressure applications

A Powerful Python toolkit for quasi-harmonic approximation

Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.

A simple workflow engine powered by Julia. Build workflows from jobs. Run, monitor, and get results from them.

Provides some crystallography operations.

A Julia package for fitting the equation of state of solids under pressure, and more

A Python package that can calculate the isentropic geotherm from thermodynamic properties

Necessary and sufficient elastic stability conditions in various crystal systems