ElasTool: An automated toolkit for elastic constants calculation
Zhongli Liu, Chinedu E. Ekuma, Weiqi Li, Jianqun Yang, Xingji Li
Topics & Concepts
Python (programming language)Computer scienceCASTEPComputational scienceSource codeAlgorithmProgramming languageApplied mathematicsMathematicsPhysicsDensity functional theoryQuantum mechanicsMachine Learning in Materials ScienceHigh-pressure geophysics and materialsElectronic and Structural Properties of Oxides