Ab initiophonon dispersions of transition and noble metals: effects of the exchange and correlation functional

Projector augmented wave method with spin-orbit coupling: Applications to simple solids and zincblende-type semiconductors

(2012) Andrea Dal Corso   PHYSICAL REVIEW B

Ab initio study of lattice dynamics and thermal equation of state of Ni

(2011) Zhao-Yi Zeng et al.   PHYSICA B-CONDENSED MATTER

Harmonic and anharmonic properties of Fe and Ni: Thermal expansion, exchange-correlation errors, and magnetism

(2010) Alison J. Hatt et al.   PHYSICAL REVIEW B

Density functional perturbation theory within the projector augmented wave method

(2010) Andrea Dal Corso   PHYSICAL REVIEW B

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Heyd-Scuseria-Ernzerhof hybrid functional for calculating the lattice dynamics of semiconductors

(2009) Kerstin Hummer et al.   PHYSICAL REVIEW B

Calculation of the lattice constant of solids with semilocal functionals

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Ab initioinvestigation of phonon dispersion and anomalies in palladium

(2008) Derek A Stewart   NEW JOURNAL OF PHYSICS

Lattice dynamics and thermal equation of state of platinum

(2008) Tao Sun et al.   PHYSICAL REVIEW B

Comment on “More accurate generalized gradient approximation for solids”

(2008) Yan Zhao et al.   PHYSICAL REVIEW B

Reply to “Comment on ‘More accurate generalized gradient approximation for solids’”

(2008) Zhigang Wu et al.   PHYSICAL REVIEW B

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS