Vorträge und Posterpräsentationen (ohne Tagungsband-Eintrag):
K. Schwarz:
"DFT calculations of solids using WIEN2k";
Vortrag: Universite Pierre & Marie Curie,
Paris, France (eingeladen);
03.06.2003.
Kurzfassung englisch:
The program package WIEN2k allows to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW)+local orbitals (lo) method, one among the most accurate schemes for band structure calculations. In DFT the local (spin) density approximation (LDA) or the improved version of the generalized gradient approximation (GGA) can be used. WIEN2k is an all-elecvtron scheme including relativistic effects and has many features.
Erstellt aus der Publikationsdatenbank der Technischen Universität Wien.