Research

Code development

Our code delvelopment has largely focussed on the linearized augmented planewave (LAPW) method. Being an all-electron scheme, it allows to describe the physics of the core region and to treat all kinds of elements on the same footing.

exciting is a modern LAPW code, the basis of which has been developed within the EU Research and Training Network EXC!TiNG. The first official version, exciting hydrogen, has been released under the GNU General Public License (GPL) in September 2009. Ongoing developments deal with excited states and lattice effects including phonon linear response and elastic properties, which are carried out within the project AtoMat.

People: Claudia Ambrosch-Draxl, Thomas Dengg, Christian Meisenbichler, Pasquale Pavone, Stephan Sagmeister, Jürgen Spitaler

Most previous developments concern implementations based on the WIEN2k code.