Understanding the difference in cohesive energies between alpha and beta tin in DFT calculations

• Main Authors: Legrain, F, Manzhos, S
• Other Authors: MECHANICAL ENGINEERING
• Format: Article
• Published: 2020
• Subjects: Computation theory; Temperature; Time varying systems; Tin; Anharmonicities; Cohesive energies; Computational schemes; Electrochemical batteries; Exchange-correlation functionals; Low temperatures; Pseudopotentials; Relative positions; Density functional theory
• Online Access: https://scholarbank.nus.edu.sg/handle/10635/176132
• Institution: National University of Singapore

10.1063/1.4948434