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.
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- Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
- From ultrasoft pseudopotentials to the projector augmented-wave method
- Cohesive Energy of Diamond
- Magnetic Moment of Iron
- Deformation of Silver Lattice by Interstitial Boron and Fluorine Impurities
- Structure of bulk Titanium Carbide (TiC)
- Strength of Ni Grain Boundary and the Effect of Boron
- Reconstruction of a Silicon Carbide Surface
- Structure and Heat of formation of Zirconia