Introduction

Elastic3rd is an open source code to calculate the higher order elastic constants(HOECs) of materials from first principles.

Features

• Support strain-energy method for calculating TOECs, FOECs for all symmetry and FFOECs for cubic
• Support post processing by considering higher order effect
• Support CASTEP(in Materials Studio, both under Windows and Linux) and VASP
• Support python 2.7.x and pyython 3.5 +

Features under developing

• Strain-stress method
• Separate elastic constants method (ref. PRL. 121, 216001, 2018)