The AFLOW standard for high-throughput materials science calculations

Keyphrases

• High-throughput 100%
• Materials Science 100%
• Parameter Values 50%
• Plane Wave 50%
• Structured Database 50%
• Electronic Structure Calculations 50%
• Pseudopotential 50%
• Electronic Structure 50%
• Number of Parameters 50%
• Exchange-correlation Functionals 50%
• Convergence Criteria 50%
• K-points 50%
• Density-based 50%
• Database Extension 50%
• Grid Density 50%
• Flow Calculation 50%
• High-throughput Construction 50%
• Collaborative Database 50%
• DFT + U 50%
• Solid-state Materials 50%
• Wave Kinetic Energy 50%

Material Science

• Density 100%
• Electronic Structure Calculation 100%