Pwpaw

A projector augmented wave (PAW) code for electronic structure calculations. II: Pwpaw for periodic solids in a plane wave basis. [For part I see the authors, ibid. 135, 329--347 (2001; Zbl 0984.81192).]par The $pwpaw$ code is a plane wave implementation of the Projector Augmented Wave (PAW) method developed by Bl”ochl for electronic structure calculations within the framework of density functional theory. In addition to the self-consistent calculation of the electronic structure of a periodic solid, the program has a number of other capabilities, including structural geometry optimization and molecular dynamics simulations within the Born-Oppenheimer approximation.