Gomez, J.A.; Larkin, I.; Schwingenschlögl, U. - In: Mathematics and Computers in Simulation (MATCOM) 80 (2010) 7, pp. 1499-1508
We discuss results of spin-polarized electronic structure calculations for a 1×1 YBa2Cu3O7/PrBa2Cu3O7 supercell, obtained by the full-potential linear augmented plane wave (FLAPW) method as implemented in the WIEN2k package. The calculations are based on the generalized gradient approximation...