WIEN2k
Ab initio
Density functional theory
Band gap
Electronic band structure
Materials science
Ab initio quantum chemistry methods
Condensed matter physics
Semiconductor
Energy minimization
Lattice constant
Direct and indirect band gaps
Plane wave
Deformation (meteorology)
Chalcopyrite
Chemistry
Computational chemistry
Local-density approximation
Diffraction
Optoelectronics
Optics
Physics
Metallurgy
Composite material
Organic chemistry
Molecule
Copper
