title: On "the complete basis set limit" and plane-wave methods in first-principles simulations of water.
abstract: Water structure, measured by the height of the first peak in oxygen-oxygen radial distributions, is converged with respect to plane-wave basis energy cutoffs for ab initio molecular dynamics simulations, confirming the reliability of plane-wave methods.
authors.affiliation: Sandia National Laboratories, Albuquerque, NM 87185, USA. slrempe@sandia.gov
authors.forename: Susan B
authors.initials: SB
authors.lastname: Rempe
authors.forename: Thomas R
authors.initials: TR
authors.lastname: Mattsson
authors.forename: K
authors.initials: K
authors.lastname: Leung