“…The supercell approximation was used for localized positrons first by Gupta and Siegel (1977). Also the linearized (LAPW) (Andersen, 1975) (Daniuk, 1983;Daniuk et al, 1987) and the full-potential version (FP-LAPW) (Baruah, Zope, and Kshirsagar, 1999; Tang, Hasegawa, Nagai, and Saito, 2002;Tang, Hasegawa, Nagai, Saito, and Kawazoe, 2002) have been applied. The FP-LAPW method is highly accurate and treats also the core electrons and their annihilation fully self-consistently using the true symmetry of electron and positron states.…”