DFT	density functional theory
DOS	density of states
GGA	generalized gradient approximation
HSE	Heyd–Scuseria–Ernzerhof hybrid functional approach
LCAO	linear combination of atomic orbitals
LCAO-HSE	hybrid-functional method for linear combination of atomic orbitals
MBJLDA	modified Becke Johnson functional combined with local density approximation
MetaGGA	meta-generalized gradient approximation
PBEs	Perdew- Burke- Ernzerhof functionals for solids
PDOS	projected density of states
PW	plane wave
PW-HSE	hybrid-functional calculations with plane-wave basis sets
SD	screw dislocations
SEeH	semi-empirical extended Hückel
SSF	Shockley stacking fault