Open-source first-principles materials code for analysing semiconductor band structures, dielectric and optical properties.
ABINIT is open-source first-principles software for materials and molecular systems, supporting total energy, electronic structure, structural optimisation, dielectric properties, phonons and related response property calculations. In semiconductor research it can be used for theoretical analysis of band gaps, band structures, defects, dielectric response and optical properties.
Use cases: first-principles calculations, semiconductor bands, dielectric properties, phonons, optical properties, materials simulation
Note: The entry barrier is fairly high; learning with the official tutorials and existing example input files is recommended.
