Elastic3rd: A tool for calculating third-order elastic constants from first-principles calculations
Mingqing Liao, Yong Liu, Shun‐Li Shang, Fei Zhou, Nan Qu, Yichuan Chen, Zhonghong Lai, Zi‐Kui Liu, Jingchuan Zhu
Topics & Concepts
CASTEPPython (programming language)AnharmonicityPhysicsThird orderThermal expansionThermodynamicsComputer scienceCondensed matter physicsProgramming languageElectronic structureLawPolitical scienceHigh-pressure geophysics and materialsMetal and Thin Film MechanicsBoron and Carbon Nanomaterials Research