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VASP Application


A license is required to use the VASP software. If you are looking for a free alternative, try Quantum Espresso.

The Vienna Ab initio Simulation Package (VASP) is a proprietary software designed for atomic scale materials modelling based on first principles.

It can be considered an alternative to popular DFT softwares such as Quantum Espresso, CASTEP, and ABINIT.

Meanwhile, Simmate's VASP app builds workflows and utilities on top of the VASP code. Typically, other workflows oversee the execution of the workflows registered in this app. For example, many VASP workflows are available in the materials_project and warren_lab apps.

Useful Resources