qvasp: A flexible toolkit for VASP users in materials simulations

Computer Science

• Command Line Interface 100%
• Command-Line 50%
• Computing Platform 50%
• Architecture Design 50%
• Postprocessing 50%
• Solution Method 50%
• Simulation Process 50%
• Preprocessing 50%
• High-Performance Computing 50%
• Programming Language 50%

Material Science

• Ab Initio Simulation 100%
• Electronic Structure 22%
• Optical Property 22%
• Nanotube 11%
• Nanosheet 11%
• Heterojunction Structure 11%
• Process Simulation 11%
• Computational Materials Science 11%

Engineering

• Command Line Interface 66%
• Output File 33%
• Command Line 33%