... 4.6. 19 code (Kresse & Hafner, 199 3; Kresse & Furthmüller, 199 6; Kresse et al., 2011), which implements projector augmented wave (PAW) technique (Bloechl, 199 4; Kresse & Joubert, 199 9), ... Liquids and Gases 518 Pojani, A.; Finocchi, F. & Noguerra, C. ( 199 9). Polarity on the SrTiO3 (111) and (110) surfaces. Surface Science, Vol.442, No.2, (November 199 9), pp. 1 79 - 198 , ISSN: ... Kresse, G. & Furthmüller, J. ( 199 6). Physical Review B, Vol. 54, No.16 , (October 199 6) , pp.111 69- 11186, ISSN: 1550-235X Kresse, G. & Joubert,D. ( 199 9). From ultrasoft pseudopotentials...