title: Structural properties of lanthanide and actinide compounds within the plane wave pseudopotential approach
abstract: We show that plane wave ultrasoft pseudopotential methods readily extend to the calculation of the structural properties of lanthanide and actinide containing compounds. This is demonstrated through a series of calculations performed on UO, UO2, UO3, U3O8, UC2, alpha-CeC2, CeB6, CeSe, CeO2, NdB6, TmOI, LaBi, LaTiO3, YbO, and elemental Lu.
authors: Institut fur Geowissenschaften, Universitat Kiel, Olshausenstrasse 40 D-24098 Kiel, Germany.
authors: CJ
authors: Pickard
authors: B
authors: Winkler
authors: RK
authors: Chen
authors: MC
authors: Payne
authors: MH
authors: Lee
authors: JS
authors: Lin
authors: JA
authors: White
authors: V
authors: Milman
authors: D
authors: Vanderbilt