News

Screened hybrid density functionals applied to solids J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, J. G. Ángyán

J. Chem. Phys. 124, 154709 (2006), and erratum: J. Chem. Phys. 125, 249901 (2006)

Linear optical properties in the projector-augmented wave methodology M. Gajdoš, K. Hummer, G. Kresse, J. Furthmüller, and F. Bechstedt

Phys. Rev. B 73, 045112 (2006)

The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set J. Paier, R. Hirschl, M. Marsman, G. Kresse

J. Chem. Phys. 122, 234102 (2005)

From ultrasoft pseudopotentials to the projector augmented-wave method G. Kresse, D. Joubert

Phys. Rev. B 59, 1758–1775 (1999)

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. G. Kresse, J. Furthmüller

Phys. Rev. B 54, 11169–11186 (1996)

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. G. Kresse, J. Furthmüller

Computational Materials Science, Volume 6, Issue 1, July 1996, Pages 15-50

Projector augmented-wave method P. E. Blöchl

Phys. Rev. B 50, 17953–17979 (1994)