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, , , , , , , CeSe, , , TmOI, LaBi, , YbO, and elemental Lu.
- Received 28 April 2000
DOI:https://doi.org/10.1103/PhysRevLett.85.5122
©2000 American Physical Society