electronic structure -pCOHP 2 Fermi softness 2 charge transfer 2 density functional theory 2 density functional theory (DFT) 2 -Ga2O3 1 Absorption edges 1 Ca-doped &#945 1 Calculations 1 Chemical bonds 1 Crystal growth 1 Crystal structure 1 Crystals structures 1 Density functional theory 1 Density of electronic state 1 Electronic structure 1 Electronic structure and optical properties 1 Electronic.structure 1 Energy gap 1 First principles 1 Germanium compounds 1 LDA + U 1 Optical function 1 Optical properties 1 Partial densities 1 Quantum ESPRESSO 1 Quantum chemistry 1 Selenium compounds 1 Sodium compounds 1