Electronic structure of solids with WIEN2k

Ab initiostudy ofh−BNnanomeshes on Ru(001), Rh(111), and Pt(111)

(2010) Robert Laskowski et al.   PHYSICAL REVIEW B

Iterative diagonalization in augmented plane wave based methods in electronic structure calculations

(2009) P. Blaha et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Density functional calculations on the charge-ordered and valence-mixed modification ofYBaFe2O5

(2009) Christian Spiel et al.   PHYSICAL REVIEW B

Strong excitonic effects inCuAlO2delafossite transparent conductive oxides

(2009) Robert Laskowski et al.   PHYSICAL REVIEW B

Insight into the performance of GGA functionals for solid-state calculations

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Robust mixing forab initioquantum mechanical calculations

(2008) L. D. Marks et al.   PHYSICAL REVIEW B

PBE+Ucalculations of the Jahn-Teller effect inPrO2

(2008) Fabien Tran et al.   PHYSICAL REVIEW B

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS