Project 70034

Towards an ab initio modelling of phase diagrams: Cluster Expansion and vibrational free energies

Contact Raimund Podloucky
Institute Physical Chemistry
University of Vienna
Sensengasse 8/7
1090 Vienna
E-mail raimund.podloucky@univie.ac.at
Software VASP
Homepage http://www.tssc.univie.ac.at/
Reports (PDF) 2010