The current developers team at the Chair of Atomistic Modelling and Design of Materials, University of Leoben consists of (in alphabetical order)
- Claudia Ambrosch-Draxl: concepts, general management & more
- Thomas Dengg: testing, templating
- Christian Meisenbichler: organization, parallelization, mixing, XML, source-code management, automated tests
- Dmitrii Nabok: van der Waals density functional
- Pasquale Pavone: stress tensor, phonons
- Stephan Sagmeister: phonons, excited-state properties within TDDFT and many-body perturbation theory, linear response
- Jürgen Spitaler: project management, k.p@LAPW, cluster expansion
Further developers:
- Clas Persson, Royal Institute of Technology, Stockholm: k.p@LAPW, band characters
We thank Laurence Marks to make the secant Broyden mixing routines available.
We thank Ricardo Gomez-Abal and Xinzheng Li for providing us with the tetrahedron integration library prior to publication.
We appreciate support from the Austrian Science Fund (FWF, project no. P16227), the EU through the Research and Training Network EXC!TING (contract HPRN-CT-2002-00317), the Styrian Federal Government (project SimEx), and the Austrian Research Promotion Agency (FFG, project AtoMat).
The current development at the Chair of Atomistic Modelling and Design of Materials is mostly carried out in the framework of AtoMat - Atomistic Approaches towards Materials Design, which is a collaboration with the Materials Center Leoben Forschung GmbH (MCL) in the framework of the ModSim program of the Österreichische Forschungsförderungsgesellschaft (FFG).
