Dataset of charge transport calculations for graphynes using DFTBephy

This dataset is associated with the publication titled "Charge Carrier Mobilities in γ-Graphynes: A computational approach".The ZIP file contains input files and results obtained using DFTBephy for graphyne and graphdiyne. It also contains input files and results for structural optimization and band structure calculations performed with VASP. Additionally, Jupyter notebooks used for analytical mobility calculations are provided. Each main directory features a detailed README.md file for guidance.