MedeA VASP

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 program is being developed in the group of Prof. Jürgen Hafner.
In the course of time and many widely cited publications, Georg Kresse is now a full professor

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

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 4.6

Version 4.6 has become an extremely well tested, robust, and proven program for the calculation based on local and semi-local density functional theory. The program is fully integrated in the MedeA platform with a graphical user interface and tested default values.

VASP 5.2

VASP 5.2, released in mid 2009, represents a breakthrough in the calculation of electronic and optical properties for semiconductors and insulators of industrial importance: based on an efficient implementation of hybrid functionals and the GW methods.

VASP 5.2 offers linear response calculations of properties such as Born effective charges and piezoelectric tensors.

The program is fully integrated in the MedeA platform with a graphical user interface and analysis capabilities.