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VASP

VASP

Ab initio engines Beyond-DFT with localized orbitals

General information

Code homepage: https://www.vasp.at

Full documentation: https://www.vasp.at/wiki/index.php/LWANNIER90

Detailed information

Short description: The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.