Vienna Ab Initio Simulation Package (VASP)

The Vienna Ab initio Simulation Package (VASP) is a widely used Fortran-based software for ab initio quantum mechanical calculations, especially in materials science and condensed matter physics. It mainly uses density functional theory (DFT) but also supports advanced methods like hybrid functionals, GW, and MP2. Developed at the University of Vienna, VASP has a large user base in academia and industry. Its versatility allows for a variety of applications, including phonon and structural calculations.

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