The Vienna Ab initio Simulation Package (VASP) is a leading electronic structure program for solids, surfaces, and interfaces.

MedeA-VASP includes a comprehensive graphical interface to set up, run and analyze VASP calculations. MedeA®provides tools for automation of more complex computational tasks like automated convergence runs and spreadsheet-based combinatorial screening.

The key authors and developers of VASP are currently Prof. Georg Kresse, Martijn Marsmann and group of Prof. Georg Kresse.

VASP is extremely well tested, robust, and proven program for the calculation based on local and semi-local density functional theory.

From academia to industrial research

Full integration in the MedeA®platform with a graphical user interface and proven default values,
combined with support and training turn VASP into MedeA-VASP: Faster learning and progress in pace with current industrial demands.

VASP 5.3

VASP 5.3, first released in late 2012, represents a breakthrough in the calculation of electronic and optical properties for semiconductors and insulators of industrial importance. This is based on an efficient implementation of hybrid functionals and the GW methods. Furthermore, VASP 5.3 offers linear response calculations of properties such as Born effective charges and piezoelectric tensors.

VASP 5.4

VASP 5.4 incorporates many improvements and adds new functionality to VASP 5.3, most importantly
a new set of potentials with more accurate description for unoccupied states. This improves the calculation of optical spectra and GW calculations. Refined van-der-Waals corrections and the VASPsol salvation model bring calculed properties closer to experiment. And last but not least, VASP5.4 marks the start of GPU support for the core part of VASP.

VASP 5.4 is fully integrated in the MedeA®platform with a graphical user interface and tested default values.