cij: A Python code for quasiharmonic thermoelasticity
Chenxing Luo, Xin Deng, Wenzhong Wang, Gaurav Shukla, Zhongqing Wu, Renata M. Wentzcovitch
Topics & Concepts
Orthorhombic crystal systemPython (programming language)Monoclinic crystal systemComputer scienceThermoelastic dampingAb initioComputational scienceMaterials sciencePhysicsCrystal structureCrystallographyThermalChemistryThermodynamicsProgramming languageQuantum mechanicsHigh-pressure geophysics and materialsThermal Expansion and Ionic ConductivityCrystal Structures and Properties