Linearized augmented planewave methods are known as the most precise numerical
schemes for solving the Kohn–Sham equations of density-functional theory (DFT). In this …

The WIEN2k program is based on the augmented plane wave plus local orbitals (APW+ lo)
method to solve the Kohn–Sham equations of density functional theory. The APW+ lo …

In studies of the electronic structure of solids, the augmented plane wave (APW) method is
the basis for the solution of the Kohn–Sham equations of density functional theory (DFT) …

The first edition of this book, published in 1994, provided an exposition of the LAPW method
and its relationship with other electronic structure approaches, especially Car-Parrinello …

We present a detailed analysis of the APW+ lo basis set for band-structure calculations. This
basis set consists of energy independent augmented plane-wave (APW) functions. The …

A new basis set for a full potential treatment of crystal electronic structures is presented and
compared to that of the well-known linearized augmented plane-wave (LAPW) method. The …

A method for calculations of the ground-state energy and structure of finite systems and for
molecular-dynamics simulations of the evolution of the nuclei on the Born-Oppenheimer …

The classic metallurgical systems—noble-metal alloys—that have formed the benchmark for
various alloy theories are revisited. First-principles fully relaxed general-potential linearized …

We present an efficient scheme for including full-potential terms in the linear-muffin-tin-
orbital method. It is based on direct evaluation of the integrals in the interstitial region by …

This is a book describing electronic structure theory and application within the framework of
a methodology implemented in the computer code RSPt. In 1986, when the code that was to …